1-methyl-4-[4-(3-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(3-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[oxo-[3-(1-pyrrolyl)phenyl]methyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-(3-pyrrol-1-ylbenzoyl)piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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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(=CC=C3)N4C=CC=C4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

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