methyl 2-chloranyl-3-[(2-methyl-1-oxidanyl-propyl)carbamoyl]-4-methylsulfonyl-benzoate

Systemtic Name: methyl 2-chloranyl-3-[(2-methyl-1-oxidanyl-propyl)carbamoyl]-4-methylsulfonyl-benzoate Openeye Name: methyl 2-chloro-3-[(1-hydroxy-2-methyl-propyl)carbamoyl]-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-[[(1-hydroxy-2-methylpropyl)amino]-oxomethyl]-4-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-chloro-3-[(1-hydroxy-2-methylpropyl)carbamoyl]-4-methylsulfonylbenzoate Traditional Name: 2-chloro-3-[(1-hydroxy-2-methyl-propyl)carbamoyl]-4-mesyl-benzoic acid methyl ester Formula: C14H18ClNO6S MolecularWeight: 363.81382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)C1=C(C=CC(=C1Cl)C(=O)OC)S(=O)(=O)C)O

Isomeric SMILES

CC(C)C(NC(=O)C1=C(C=CC(=C1Cl)C(=O)OC)S(=O)(=O)C)O

InChI

InChI=1S/C14H18ClNO6S/c1-7(2)12(17)16-13(18)10-9(23(4,20)21)6-5-8(11(10)15)14(19)22-3/h5-7,12,17H,1-4H3,(H,16,18)