N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-[mesyl(methyl)amino]phenyl]-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C21H27N3O5S3 MolecularWeight: 497.65118

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O5S3/c1-23(31(3,26)27)18-6-4-5-17(15-18)22-21(25)16-11-13-24(14-12-16)32(28,29)20-9-7-19(30-2)8-10-20/h4-10,15-16H,11-14H2,1-3H3,(H,22,25)