4-chloranyl-3-methylsulfonyl-5-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 4-chloranyl-3-methylsulfonyl-5-[(phenylmethyl)amino]benzoic acid Openeye Name: 3-(benzylamino)-4-chloro-5-methylsulfonyl-benzoic acid CAS Name: 4-chloro-3-methylsulfonyl-5-[(phenylmethyl)amino]benzoic acid IUPAC Name: 3-(benzylamino)-4-chloro-5-methylsulfonylbenzoic acid Traditional Name: 3-(benzylamino)-4-chloro-5-mesyl-benzoic acid Formula: C15H14ClNO4S MolecularWeight: 339.79396

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1Cl)NCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1Cl)NCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H14ClNO4S/c1-22(20,21)13-8-11(15(18)19)7-12(14(13)16)17-9-10-5-3-2-4-6-10/h2-8,17H,9H2,1H3,(H,18,19)