[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H18ClN3O9S MolecularWeight: 547.92172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H18ClN3O9S/c1-13(22(28)25-14-6-9-20-21(10-14)35-12-34-20)36-23(29)16-4-2-3-5-18(16)26-37(32,33)15-7-8-17(24)19(11-15)27(30)31/h2-11,13,26H,12H2,1H3,(H,25,28)