2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzoic acid Openeye Name: 2-[benzyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzoic acid IUPAC Name: 2-[benzyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[benzyl(tosyl)amino]benzoic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)O

InChI

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