[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(propan-2-ylsulfamoyl)benzoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(propan-2-ylsulfamoyl)benzoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 4-(isopropylsulfamoyl)benzoate CAS Name: 4-(propan-2-ylsulfamoyl)benzoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate Traditional Name: 4-(isopropylsulfamoyl)benzoic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C18H18ClN3O7S MolecularWeight: 455.86942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O7S/c1-11(2)21-30(27,28)14-6-3-12(4-7-14)18(24)29-10-17(23)20-13-5-8-15(19)16(9-13)22(25)26/h3-9,11,21H,10H2,1-2H3,(H,20,23)