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

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

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

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