1-[(3-bromophenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenyl-methyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenyl-methyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[o-tolyl(phenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[o-tolyl(phenyl)methyl]isonipecotamide Formula: C27H29BrN2O3S MolecularWeight: 541.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C27H29BrN2O3S/c1-20-8-5-6-13-25(20)26(22-10-3-2-4-11-22)29-27(31)23-14-16-30(17-15-23)34(32,33)19-21-9-7-12-24(28)18-21/h2-13,18,23,26H,14-17,19H2,1H3,(H,29,31)