[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)sulfamoyl]benzoic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H25ClN2O5S/c1-14(2)15(3)24-20(25)13-29-21(26)17-9-10-18(22)19(11-17)30(27,28)23-12-16-7-5-4-6-8-16/h4-11,14-15,23H,12-13H2,1-3H3,(H,24,25)