3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]benzoic acid

Systemtic Name: 3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]benzoic acid Openeye Name: 3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]benzoic acid CAS Name: 3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]benzoic acid IUPAC Name: 3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]benzoic acid Traditional Name: 3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]benzoic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C16H18N2O4S/c17-23(21,22)15-6-4-12(5-7-15)8-9-18-11-13-2-1-3-14(10-13)16(19)20/h1-7,10,18H,8-9,11H2,(H,19,20)(H2,17,21,22)