[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C15H22N2O5S MolecularWeight: 342.41058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C15H22N2O5S/c1-10(2)6-7-17-14(18)9-22-15(19)13-8-12(23(16,20)21)5-4-11(13)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,18)(H2,16,20,21)