3-(butylamino)-4-chloranyl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(butylamino)-4-chloranyl-5-sulfamoyl-benzoic acid Openeye Name: 3-(butylamino)-4-chloro-5-sulfamoyl-benzoic acid CAS Name: 3-(butylamino)-4-chloro-5-sulfamoylbenzoic acid IUPAC Name: 3-(butylamino)-4-chloro-5-sulfamoylbenzoic acid Traditional Name: 3-(butylamino)-4-chloro-5-sulfamoyl-benzoic acid Formula: C11H15ClN2O4S MolecularWeight: 306.7658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C11H15ClN2O4S/c1-2-3-4-14-8-5-7(11(15)16)6-9(10(8)12)19(13,17)18/h5-6,14H,2-4H2,1H3,(H,15,16)(H2,13,17,18)