N-[(4-methylphenyl)-phenyl-methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[(4-methylphenyl)-phenyl-methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(3-phenylpropylsulfonyl)-N-[phenyl(p-tolyl)methyl]piperidine-3-carboxamide CAS Name: N-[(4-methylphenyl)-phenylmethyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[(4-methylphenyl)-phenylmethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: 1-(3-phenylpropylsulfonyl)-N-[phenyl(p-tolyl)methyl]nipecotamide Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O3S/c1-23-16-18-26(19-17-23)28(25-13-6-3-7-14-25)30-29(32)27-15-8-20-31(22-27)35(33,34)21-9-12-24-10-4-2-5-11-24/h2-7,10-11,13-14,16-19,27-28H,8-9,12,15,20-22H2,1H3,(H,30,32)