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

Systemtic Name: (2R)-2-[1-oxidanyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate Openeye Name: (2R)-2-[[1-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoate CAS Name: (2R)-2-[[1-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]-2-naphthalenyl]thio]propanoate IUPAC Name: (2R)-2-[1-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[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)SC(C)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S2/c1-12-9-13(2)21(14(3)10-12)30(27,28)23-18-11-19(29-15(4)22(25)26)20(24)17-8-6-5-7-16(17)18/h5-11,15,23-24H,1-4H3,(H,25,26)/p-1/t15-/m1/s1