[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoate CAS Name: 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate Traditional Name: 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C26H27N3O9S MolecularWeight: 557.57228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)CC3=CC=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)CC3=CC=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O9S/c1-17-12-21(29(32)33)23(37-4)14-20(17)27-25(30)16-38-26(31)19-10-11-22(36-3)24(13-19)39(34,35)28(2)15-18-8-6-5-7-9-18/h5-14H,15-16H2,1-4H3,(H,27,30)