4-chloranyl-3-[(4-methylphenyl)methylsulfinyl]-5-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(4-methylphenyl)methylsulfinyl]-5-[(phenylmethyl)amino]benzoic acid Openeye Name: 3-(benzylamino)-4-chloro-5-(p-tolylmethylsulfinyl)benzoic acid CAS Name: 4-chloro-3-[(4-methylphenyl)methylsulfinyl]-5-[(phenylmethyl)amino]benzoic acid IUPAC Name: 3-(benzylamino)-4-chloro-5-[(4-methylphenyl)methylsulfinyl]benzoic acid Traditional Name: 3-(benzylamino)-4-chloro-5-(4-methylbenzyl)sulfinyl-benzoic acid Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)C2=CC(=CC(=C2Cl)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)C2=CC(=CC(=C2Cl)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H20ClNO3S/c1-15-7-9-17(10-8-15)14-28(27)20-12-18(22(25)26)11-19(21(20)23)24-13-16-5-3-2-4-6-16/h2-12,24H,13-14H2,1H3,(H,25,26)