methyl 4-[3-[(4-nitrophenyl)sulfonylamino]propanoylamino]benzoate

Systemtic Name: methyl 4-[3-[(4-nitrophenyl)sulfonylamino]propanoylamino]benzoate Openeye Name: methyl 4-[3-[(4-nitrophenyl)sulfonylamino]propanoylamino]benzoate CAS Name: 4-[[3-[(4-nitrophenyl)sulfonylamino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-nitrophenyl)sulfonylamino]propanoylamino]benzoate Traditional Name: 4-[3-(nosylamino)propanoylamino]benzoic acid methyl ester Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7S/c1-27-17(22)12-2-4-13(5-3-12)19-16(21)10-11-18-28(25,26)15-8-6-14(7-9-15)20(23)24/h2-9,18H,10-11H2,1H3,(H,19,21)