[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate CAS Name: 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate Traditional Name: 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H28N2O6S/c1-16(2)12-13-23-21(25)15-30-22(26)17-6-5-7-20(14-17)31(27,28)24(3)18-8-10-19(29-4)11-9-18/h5-11,14,16H,12-13,15H2,1-4H3,(H,23,25)