1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]isonipecotamide Formula: C26H27ClN2O3S2 MolecularWeight: 515.08718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2O3S2/c1-19-17-20(18-33-23-5-3-2-4-6-23)7-12-25(19)28-26(30)21-13-15-29(16-14-21)34(31,32)24-10-8-22(27)9-11-24/h2-12,17,21H,13-16,18H2,1H3,(H,28,30)