[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 2-(3,4-dipropoxyphenyl)carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 2-(3,4-dipropoxyphenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3,4-dipropoxybenzoyl)benzoate CAS Name: 2-[(3,4-dipropoxyphenyl)-oxomethyl]benzoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3,4-dipropoxybenzoyl)benzoate Traditional Name: 2-(3,4-dipropoxybenzoyl)benzoic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C28H30N2O8S MolecularWeight: 554.6114

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)OCCC

InChI

InChI=1S/C28H30N2O8S/c1-3-14-36-24-13-12-19(16-25(24)37-15-4-2)27(32)22-10-5-6-11-23(22)28(33)38-18-26(31)30-20-8-7-9-21(17-20)39(29,34)35/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,30,31)(H2,29,34,35)