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

Systemtic Name: 2-[1-oxidanyl-4-[(4-propan-2-ylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylethanoic acid Openeye Name: 2-[[1-hydroxy-4-[(4-isopropylphenyl)sulfonylamino]-2-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[1-hydroxy-4-[(4-propan-2-ylphenyl)sulfonylamino]-2-naphthalenyl]thio]acetic acid IUPAC Name: 2-[1-hydroxy-4-[(4-propan-2-ylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-hydroxy-4-(p-cumenylsulfonylamino)-2-naphthyl]thio]acetic acid Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S2/c1-13(2)14-7-9-15(10-8-14)29(26,27)22-18-11-19(28-12-20(23)24)21(25)17-6-4-3-5-16(17)18/h3-11,13,22,25H,12H2,1-2H3,(H,23,24)