ethyl 2,4-dimethyl-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H24N4O7S MolecularWeight: 464.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N4O7S/c1-4-31-20(26)17-13(2)18(21-14(17)3)19(25)22-8-10-23(11-9-22)32(29,30)16-7-5-6-15(12-16)24(27)28/h5-7,12,21H,4,8-11H2,1-3H3