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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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