[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate CAS Name: 3,4-dimethyl-5-sulfamoylbenzoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3,4-dimethyl-5-sulfamoylbenzoate Traditional Name: 3,4-dimethyl-5-sulfamoyl-benzoic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)S(=O)(=O)N)C

InChI

InChI=1S/C20H22N2O5S/c1-12-10-15(11-17(13(12)2)28(21,25)26)20(24)27-18(14-6-4-3-5-7-14)19(23)22-16-8-9-16/h3-7,10-11,16,18H,8-9H2,1-2H3,(H,22,23)(H2,21,25,26)