[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H25ClN2O7S MolecularWeight: 484.9504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl)OCC

InChI

InChI=1S/C21H25ClN2O7S/c1-3-29-18-8-5-14(11-19(18)30-4-2)9-10-24-20(25)13-31-21(26)16-12-15(32(23,27)28)6-7-17(16)22/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,24,25)(H2,23,27,28)