3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-(m-tolylsulfanyl)phenyl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[4-[(3-methylphenyl)thio]phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[4-(m-tolylthio)phenyl]sulfonylamino]butyric acid Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=CC=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)SC2=CC=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C18H21NO4S2/c1-12(2)17(18(20)21)19-25(22,23)16-9-7-14(8-10-16)24-15-6-4-5-13(3)11-15/h4-12,17,19H,1-3H3,(H,20,21)