N-[2-(cyclohexylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[2-(cyclohexylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[2-(cyclohexylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[(cyclohexylamino)-oxomethyl]phenyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[2-(cyclohexylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[2-(cyclohexylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C28H37N3O4S MolecularWeight: 511.67608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H37N3O4S/c32-27(30-26-18-8-7-17-25(26)28(33)29-24-15-5-2-6-16-24)23-14-9-19-31(21-23)36(34,35)20-10-13-22-11-3-1-4-12-22/h1,3-4,7-8,11-12,17-18,23-24H,2,5-6,9-10,13-16,19-21H2,(H,29,33)(H,30,32)