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

Systemtic Name: 3-(butylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-3-(butylamino)-5-sulfamoyl-benzoic acid CAS Name: 3-(butylamino)-4-(phenylmethyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-(butylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-3-(butylamino)-5-sulfamoyl-benzoic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O4S/c1-2-3-9-20-16-11-14(18(21)22)12-17(25(19,23)24)15(16)10-13-7-5-4-6-8-13/h4-8,11-12,20H,2-3,9-10H2,1H3,(H,21,22)(H2,19,23,24)