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

Systemtic Name: 2-methoxyethyl 2,4-dimethyl-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C21H26N4O8S MolecularWeight: 494.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OCCOC)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OCCOC)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O8S/c1-14-18(21(27)33-12-11-32-3)15(2)22-19(14)20(26)23-7-9-24(10-8-23)34(30,31)17-6-4-5-16(13-17)25(28)29/h4-6,13,22H,7-12H2,1-3H3