4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]benzoic acid CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoic acid IUPAC Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoic acid Traditional Name: 4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzoic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4S/c1-12-4-9-16(10-13(12)2)18(23(3,21)22)11-14-5-7-15(8-6-14)17(19)20/h4-10H,11H2,1-3H3,(H,19,20)