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

Systemtic Name: 3-[4-[(4-methylphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoate Openeye Name: 3-[[1-hydroxy-4-(p-tolylsulfonylamino)-2-naphthyl]sulfanyl]propanoate CAS Name: 3-[[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]-2-naphthalenyl]thio]propanoate IUPAC Name: 3-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate Traditional Name: 3-[[1-hydroxy-4-(tosylamino)-2-naphthyl]thio]propionate Formula: C20H18NO5S2- MolecularWeight: 416.49062

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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)SCCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCCC(=O)[O-]

InChI

InChI=1S/C20H19NO5S2/c1-13-6-8-14(9-7-13)28(25,26)21-17-12-18(27-11-10-19(22)23)20(24)16-5-3-2-4-15(16)17/h2-9,12,21,24H,10-11H2,1H3,(H,22,23)/p-1