2-[(3-methylphenyl)methyl-(phenylsulfonyl)amino]benzoic acid

Systemtic Name: 2-[(3-methylphenyl)methyl-(phenylsulfonyl)amino]benzoic acid Openeye Name: 2-[benzenesulfonyl(m-tolylmethyl)amino]benzoic acid CAS Name: 2-[benzenesulfonyl-[(3-methylphenyl)methyl]amino]benzoic acid IUPAC Name: 2-[benzenesulfonyl-[(3-methylphenyl)methyl]amino]benzoic acid Traditional Name: 2-[besyl-(3-methylbenzyl)amino]benzoic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(C2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CN(C2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO4S/c1-16-8-7-9-17(14-16)15-22(20-13-6-5-12-19(20)21(23)24)27(25,26)18-10-3-2-4-11-18/h2-14H,15H2,1H3,(H,23,24)