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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-15(2)10-11-23-20(25)14-29-21(26)17-8-9-18(22)19(12-17)30(27,28)24-13-16-6-4-3-5-7-16/h3-9,12,15,24H,10-11,13-14H2,1-2H3,(H,23,25)