4-[4-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzamide Openeye Name: 4-[4-(1-cyclopropyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 4-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-(1-cyclopropyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazino]sulfonylbenzamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H26N4O4S/c1-14-13-19(15(2)25(14)17-5-6-17)21(27)23-9-11-24(12-10-23)30(28,29)18-7-3-16(4-8-18)20(22)26/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3,(H2,22,26)