N-[2-(butan-2-ylcarbamoyl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[2-(sec-butylcarbamoyl)phenyl]piperidine-4-carboxamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[2-(sec-butylcarbamoyl)phenyl]isonipecotamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-4-13(2)19-18(23)15-7-5-6-8-16(15)20-17(22)14-9-11-21(12-10-14)26(3,24)25/h5-8,13-14H,4,9-12H2,1-3H3,(H,19,23)(H,20,22)