1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]isonipecotamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)C

InChI

InChI=1S/C20H27N5O5S/c1-12-8-13(2)23-20(28)16(12)10-22-19(27)14-4-6-25(7-5-14)31(29,30)15-9-17(18(21)26)24(3)11-15/h8-9,11,14H,4-7,10H2,1-3H3,(H2,21,26)(H,22,27)(H,23,28)