1-(2,4-dimethylphenyl)sulfonyl-N-[[2-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[[2-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[[2-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[[2-(phenoxymethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[[2-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(phenoxymethyl)benzyl]isonipecotamide Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3COC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3COC4=CC=CC=C4)C

InChI

InChI=1S/C28H32N2O4S/c1-21-12-13-27(22(2)18-21)35(32,33)30-16-14-23(15-17-30)28(31)29-19-24-8-6-7-9-25(24)20-34-26-10-4-3-5-11-26/h3-13,18,23H,14-17,19-20H2,1-2H3,(H,29,31)