1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-quinolin-8-yl-piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-quinolin-8-yl-piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(8-quinolyl)piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-(8-quinolinyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(8-quinolyl)isonipecotamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H23N5O4S/c1-25-13-16(12-18(25)20(22)27)31(29,30)26-10-7-15(8-11-26)21(28)24-17-6-2-4-14-5-3-9-23-19(14)17/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H2,22,27)(H,24,28)