947527-90-4 Purity
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Specification
The PubChem CID for (S)-3-Benzyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride is 45158595.
The molecular formula of (S)-3-Benzyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride is C18H23ClN2O3S.
The molecular weight of (S)-3-Benzyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride is 382.9 g/mol.
The IUPAC name of (S)-3-Benzyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride is (3S)-3-benzyl-1-(2-methoxyphenyl)sulfonylpiperazine;hydrochloride.
The InChI of (S)-3-Benzyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride is InChI=1S/C18H22N2O3S.ClH/c1-23-17-9-5-6-10-18(17)24(21,22)20-12-11-19-16(14-20)13-15-7-3-2-4-8-15;/h2-10,16,19H,11-14H2,1H3;1H/t16-;/m0./s1.
The InChIKey of (S)-3-Benzyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride is CINYIDVMTVBRGW-NTISSMGPSA-N.
The canonical SMILES of (S)-3-Benzyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride is COC1=CC=CC=C1S(=O)(=O)N2CCNC(C2)CC3=CC=CC=C3.Cl.
The CAS number of (S)-3-Benzyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride is 947532-50-5.
The hydrogen bond donor count of (S)-3-Benzyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride is 2.