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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C)C(=O)OC

InChI

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