N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(tert-butylamino)-oxomethyl]phenyl]-1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonyl-isonipecotamide Formula: C23H28ClN3O4S MolecularWeight: 478.00412

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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)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O4S/c1-23(2,3)26-22(29)19-6-4-5-7-20(19)25-21(28)16-12-14-27(15-13-16)32(30,31)18-10-8-17(24)9-11-18/h4-11,16H,12-15H2,1-3H3,(H,25,28)(H,26,29)