3-methylsulfonyl-4-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 3-methylsulfonyl-4-[(phenylmethyl)amino]benzoic acid Openeye Name: 4-(benzylamino)-3-methylsulfonyl-benzoic acid CAS Name: 3-methylsulfonyl-4-[(phenylmethyl)amino]benzoic acid IUPAC Name: 4-(benzylamino)-3-methylsulfonylbenzoic acid Traditional Name: 4-(benzylamino)-3-mesyl-benzoic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C15H15NO4S/c1-21(19,20)14-9-12(15(17)18)7-8-13(14)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3,(H,17,18)