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

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)sulfamoyl]benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H26ClN3O6S MolecularWeight: 495.97634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O6S/c1-15(2)10-11-24-22(29)26-20(27)14-32-21(28)17-8-9-18(23)19(12-17)33(30,31)25-13-16-6-4-3-5-7-16/h3-9,12,15,25H,10-11,13-14H2,1-2H3,(H2,24,26,27,29)