[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate CAS Name: 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate Traditional Name: 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C26H26N2O7S MolecularWeight: 510.55884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H26N2O7S/c1-3-4-5-19-7-11-21(12-8-19)27-36(33,34)23-15-6-18(2)24(16-23)26(30)35-17-25(29)20-9-13-22(14-10-20)28(31)32/h6-16,27H,3-5,17H2,1-2H3