[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [2-keto-2-[(4-sulfamoylbenzyl)amino]ethyl] ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)OCC

InChI

InChI=1S/C21H26N2O7S/c1-3-11-29-18-10-7-16(12-19(18)28-4-2)21(25)30-14-20(24)23-13-15-5-8-17(9-6-15)31(22,26)27/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,23,24)(H2,22,26,27)