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

Systemtic Name: N-[(4-methylphenyl)-phenyl-methyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[phenyl(p-tolyl)methyl]piperidine-4-carboxamide CAS Name: N-[(4-methylphenyl)-phenylmethyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[phenyl(p-tolyl)methyl]isonipecotamide Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O3S/c1-21-12-14-24(15-13-21)26(23-10-6-3-7-11-23)28-27(30)25-16-18-29(19-17-25)33(31,32)20-22-8-4-2-5-9-22/h2-15,25-26H,16-20H2,1H3,(H,28,30)