2-[4-[(4-methylphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(4-methylphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylethanoic acid Openeye Name: 2-[[1-hydroxy-4-(p-tolylsulfonylamino)-2-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-2-naphthalenyl]thio]acetic acid IUPAC Name: 2-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-hydroxy-4-(tosylamino)-2-naphthyl]thio]acetic acid Formula: C19H17NO5S2 MolecularWeight: 403.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCC(=O)O

InChI

InChI=1S/C19H17NO5S2/c1-12-6-8-13(9-7-12)27(24,25)20-16-10-17(26-11-18(21)22)19(23)15-5-3-2-4-14(15)16/h2-10,20,23H,11H2,1H3,(H,21,22)