propan-2-yl 4-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]benzoate Openeye Name: isopropyl 4-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]benzoate CAS Name: 4-[[3-(2-nitro-4-sulfamoylanilino)-1-oxopropyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(2-nitro-4-sulfamoylanilino)propanoylamino]benzoate Traditional Name: 4-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]benzoic acid isopropyl ester Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O7S/c1-12(2)30-19(25)13-3-5-14(6-4-13)22-18(24)9-10-21-16-8-7-15(31(20,28)29)11-17(16)23(26)27/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,24)(H2,20,28,29)