methyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-(phenylsulfonyl)phenyl]sulfamate

Systemtic Name: methyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-(phenylsulfonyl)phenyl]sulfamate Openeye Name: methyl N-[4-(benzenesulfonyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(benzenesulfonyl)-2-[3-(methylthio)-1-piperazinyl]phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[4-(benzenesulfonyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-besyl-2-[3-(methylthio)piperazino]phenyl]sulfamic acid methyl ester Formula: C18H23N3O5S3 MolecularWeight: 457.58732

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

COS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C18H23N3O5S3/c1-26-29(24,25)20-16-9-8-15(28(22,23)14-6-4-3-5-7-14)12-17(16)21-11-10-19-18(13-21)27-2/h3-9,12,18-20H,10-11,13H2,1-2H3