1-methyl-4-[4-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-(2-oxo-1H-quinoline-4-carbonyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[oxo-(2-oxo-1H-quinolin-4-yl)methyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(2-oxo-1H-quinoline-4-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-(2-keto-1H-quinoline-4-carbonyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C20H21N5O5S/c1-23-12-13(10-17(23)19(21)27)31(29,30)25-8-6-24(7-9-25)20(28)15-11-18(26)22-16-5-3-2-4-14(15)16/h2-5,10-12H,6-9H2,1H3,(H2,21,27)(H,22,26)