3-[1-oxidanyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate

Systemtic Name: 3-[1-oxidanyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate Openeye Name: 3-[[1-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoate CAS Name: 3-[[1-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]-2-naphthalenyl]thio]propanoate IUPAC Name: 3-[1-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate Traditional Name: 3-[[1-hydroxy-4-(mesitylsulfonylamino)-2-naphthyl]thio]propionate Formula: C22H22NO5S2- MolecularWeight: 444.54378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S2/c1-13-10-14(2)22(15(3)11-13)30(27,28)23-18-12-19(29-9-8-20(24)25)21(26)17-7-5-4-6-16(17)18/h4-7,10-12,23,26H,8-9H2,1-3H3,(H,24,25)/p-1