2-[(2-methyl-1-methylsulfanyl-propan-2-yl)carbamoyl]-3-methylsulfonyloxy-benzoic acid

Systemtic Name: 2-[(2-methyl-1-methylsulfanyl-propan-2-yl)carbamoyl]-3-methylsulfonyloxy-benzoic acid Openeye Name: 2-[(1,1-dimethyl-2-methylsulfanyl-ethyl)carbamoyl]-3-methylsulfonyloxy-benzoic acid CAS Name: 2-[[[2-methyl-1-(methylthio)propan-2-yl]amino]-oxomethyl]-3-methylsulfonyloxybenzoic acid IUPAC Name: 2-[(2-methyl-1-methylsulfanylpropan-2-yl)carbamoyl]-3-methylsulfonyloxybenzoic acid Traditional Name: 2-[[1,1-dimethyl-2-(methylthio)ethyl]carbamoyl]-3-methylsulfonyloxy-benzoic acid Formula: C14H19NO6S2 MolecularWeight: 361.43376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC)NC(=O)C1=C(C=CC=C1OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)(CSC)NC(=O)C1=C(C=CC=C1OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C14H19NO6S2/c1-14(2,8-22-3)15-12(16)11-9(13(17)18)6-5-7-10(11)21-23(4,19)20/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)