2-(3-methylbutylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 2-(3-methylbutylamino)-5-sulfamoyl-benzoic acid Openeye Name: 2-(isopentylamino)-5-sulfamoyl-benzoic acid CAS Name: 2-(3-methylbutylamino)-5-sulfamoylbenzoic acid IUPAC Name: 2-(3-methylbutylamino)-5-sulfamoylbenzoic acid Traditional Name: 2-(isoamylamino)-5-sulfamoyl-benzoic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CC(C)CCNC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C12H18N2O4S/c1-8(2)5-6-14-11-4-3-9(19(13,17)18)7-10(11)12(15)16/h3-4,7-8,14H,5-6H2,1-2H3,(H,15,16)(H2,13,17,18)