4-methyl-3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 3-[2-(isobutylamino)-2-oxo-ethyl]sulfonyl-4-methyl-benzoic acid CAS Name: 4-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 4-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 3-[2-(isobutylamino)-2-keto-ethyl]sulfonyl-4-methyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NCC(C)C

InChI

InChI=1S/C14H19NO5S/c1-9(2)7-15-13(16)8-21(19,20)12-6-11(14(17)18)5-4-10(12)3/h4-6,9H,7-8H2,1-3H3,(H,15,16)(H,17,18)