4-[[(4-methylphenyl)-methylsulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-methylphenyl)-methylsulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[(4-methyl-N-methylsulfonyl-anilino)methyl]benzoic acid CAS Name: 4-[(4-methyl-N-methylsulfonylanilino)methyl]benzoic acid IUPAC Name: 4-[(4-methyl-N-methylsulfonylanilino)methyl]benzoic acid Traditional Name: 4-[(N-mesyl-4-methyl-anilino)methyl]benzoic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C

InChI

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