3-[1-oxidanyl-4-[(4-propan-2-ylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate

Systemtic Name: 3-[1-oxidanyl-4-[(4-propan-2-ylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate Openeye Name: 3-[[1-hydroxy-4-[(4-isopropylphenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoate CAS Name: 3-[[1-hydroxy-4-[(4-propan-2-ylphenyl)sulfonylamino]-2-naphthalenyl]thio]propanoate IUPAC Name: 3-[1-hydroxy-4-[(4-propan-2-ylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate Traditional Name: 3-[[1-hydroxy-4-(p-cumenylsulfonylamino)-2-naphthyl]thio]propionate Formula: C22H22NO5S2- MolecularWeight: 444.54378

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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)SCCC(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCCC(=O)[O-]

InChI

InChI=1S/C22H23NO5S2/c1-14(2)15-7-9-16(10-8-15)30(27,28)23-19-13-20(29-12-11-21(24)25)22(26)18-6-4-3-5-17(18)19/h3-10,13-14,23,26H,11-12H2,1-2H3,(H,24,25)/p-1