4-[[(3,5-dimethylphenyl)-methylsulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(3,5-dimethylphenyl)-methylsulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[(3,5-dimethyl-N-methylsulfonyl-anilino)methyl]benzoic acid CAS Name: 4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzoic acid IUPAC Name: 4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzoic acid Traditional Name: 4-[(N-mesyl-3,5-dimethyl-anilino)methyl]benzoic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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