N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(tert-butylamino)-oxomethyl]phenyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O4S/c1-26(2,3)28-25(31)22-13-7-8-14-23(22)27-24(30)21-15-17-29(18-16-21)34(32,33)19-9-12-20-10-5-4-6-11-20/h4-8,10-11,13-14,21H,9,12,15-19H2,1-3H3,(H,27,30)(H,28,31)