N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-methyl-N-[[4-(methylthio)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-methyl-N-[4-(methylthio)benzyl]nipecotamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-22(15-17-10-12-19(27-2)13-11-17)21(24)18-7-6-14-23(16-18)28(25,26)20-8-4-3-5-9-20/h3-5,8-13,18H,6-7,14-16H2,1-2H3