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

Systemtic Name: N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[2-(cyclohexylcarbamoyl)phenyl]-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(cyclohexylamino)-oxomethyl]phenyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(cyclohexylcarbamoyl)phenyl]-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4CCCCC4

InChI

InChI=1S/C27H35N3O4S/c1-20-8-7-9-21(18-20)19-35(33,34)30-16-14-22(15-17-30)26(31)29-25-13-6-5-12-24(25)27(32)28-23-10-3-2-4-11-23/h5-9,12-13,18,22-23H,2-4,10-11,14-17,19H2,1H3,(H,28,32)(H,29,31)