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

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate CAS Name: 4-[(2-methyl-5-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] 4-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H21N3O9S MolecularWeight: 527.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H21N3O9S/c1-14-3-9-19(27(30)31)12-22(14)37(32,33)26-17-6-4-16(5-7-17)24(29)36-15(2)23(28)25-18-8-10-20-21(11-18)35-13-34-20/h3-12,15,26H,13H2,1-2H3,(H,25,28)