2-[(2,4-dimethyl-6-phenylsulfanyl-phenyl)-(phenylsulfonyl)amino]ethanoic acid

Systemtic Name: 2-[(2,4-dimethyl-6-phenylsulfanyl-phenyl)-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-2,4-dimethyl-6-phenylsulfanyl-anilino]acetic acid CAS Name: 2-[N-(benzenesulfonyl)-2,4-dimethyl-6-(phenylthio)anilino]acetic acid IUPAC Name: 2-[N-(benzenesulfonyl)-2,4-dimethyl-6-phenylsulfanylanilino]acetic acid Traditional Name: 2-[N-besyl-2,4-dimethyl-6-(phenylthio)anilino]acetic acid Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)SC2=CC=CC=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)SC2=CC=CC=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H21NO4S2/c1-16-13-17(2)22(20(14-16)28-18-9-5-3-6-10-18)23(15-21(24)25)29(26,27)19-11-7-4-8-12-19/h3-14H,15H2,1-2H3,(H,24,25)