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

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]isonipecotamide Formula: C27H30N2O3S2 MolecularWeight: 494.6687

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S2/c1-21-18-23(19-33-25-10-6-3-7-11-25)12-13-26(21)28-27(30)24-14-16-29(17-15-24)34(31,32)20-22-8-4-2-5-9-22/h2-13,18,24H,14-17,19-20H2,1H3,(H,28,30)