(4-aminocarbonyl-2-nitro-phenyl)methyl 4-chloranyl-3-[methoxy(methyl)sulfamoyl]benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-chloranyl-3-[methoxy(methyl)sulfamoyl]benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C17H16ClN3O8S MolecularWeight: 457.84224

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Descriptors Computed from Structure

Canonical SMILES:

CN(OC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

CN(OC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN3O8S/c1-20(28-2)30(26,27)15-8-11(5-6-13(15)18)17(23)29-9-12-4-3-10(16(19)22)7-14(12)21(24)25/h3-8H,9H2,1-2H3,(H2,19,22)