4-chloranyl-3-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[2-[isopropyl(methyl)amino]-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-chloro-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 4-chloro-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 4-chloro-3-[2-[isopropyl(methyl)amino]-2-keto-ethyl]sulfonyl-benzoic acid Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CC(C)N(C)C(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C13H16ClNO5S/c1-8(2)15(3)12(16)7-21(19,20)11-6-9(13(17)18)4-5-10(11)14/h4-6,8H,7H2,1-3H3,(H,17,18)