propan-2-yl 1-(5-chloranyl-2-nitro-phenyl)sulfonyl-4-(phenylazanylmethyl)pyrrole-2-carboxylate

Systemtic Name: propan-2-yl 1-(5-chloranyl-2-nitro-phenyl)sulfonyl-4-(phenylazanylmethyl)pyrrole-2-carboxylate Openeye Name: isopropyl 4-(anilinomethyl)-1-(5-chloro-2-nitro-phenyl)sulfonyl-pyrrole-2-carboxylate CAS Name: 4-(anilinomethyl)-1-(5-chloro-2-nitrophenyl)sulfonyl-2-pyrrolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(anilinomethyl)-1-(5-chloro-2-nitrophenyl)sulfonylpyrrole-2-carboxylate Traditional Name: 4-(anilinomethyl)-1-(5-chloro-2-nitro-phenyl)sulfonyl-pyrrole-2-carboxylic acid isopropyl ester Formula: C21H20ClN3O6S MolecularWeight: 477.918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])CNC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])CNC3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O6S/c1-14(2)31-21(26)19-10-15(12-23-17-6-4-3-5-7-17)13-24(19)32(29,30)20-11-16(22)8-9-18(20)25(27)28/h3-11,13-14,23H,12H2,1-2H3