ethyl 2,5-dimethyl-4-[[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H27N5O7S MolecularWeight: 493.53338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H27N5O7S/c1-4-33-21(28)19-14(2)23-15(3)20(19)34(31,32)22-13-18(27)25-11-9-24(10-12-25)16-5-7-17(8-6-16)26(29)30/h5-8,22-23H,4,9-13H2,1-3H3