2-methyl-5-methylsulfonyl-4-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 2-methyl-5-methylsulfonyl-4-[(phenylmethyl)amino]benzoic acid Openeye Name: 4-(benzylamino)-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 2-methyl-5-methylsulfonyl-4-[(phenylmethyl)amino]benzoic acid IUPAC Name: 4-(benzylamino)-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-(benzylamino)-5-mesyl-2-methyl-benzoic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)NCC2=CC=CC=C2

InChI

InChI=1S/C16H17NO4S/c1-11-8-14(17-10-12-6-4-3-5-7-12)15(22(2,20)21)9-13(11)16(18)19/h3-9,17H,10H2,1-2H3,(H,18,19)