[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C28H31NO5S/c1-5-6-7-22-10-14-25(15-11-22)29-35(32,33)27-17-24(13-9-20(27)3)28(31)34-18-26(30)23-12-8-19(2)21(4)16-23/h8-17,29H,5-7,18H2,1-4H3