1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(sec-butylcarbamoyl)phenyl]piperidine-4-carboxamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(sec-butylcarbamoyl)phenyl]isonipecotamide Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C23H31N5O5S/c1-4-15(2)25-23(31)18-7-5-6-8-19(18)26-22(30)16-9-11-28(12-10-16)34(32,33)17-13-20(21(24)29)27(3)14-17/h5-8,13-16H,4,9-12H2,1-3H3,(H2,24,29)(H,25,31)(H,26,30)