3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-4-ethyl-benzoic acid

Systemtic Name: 3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-4-ethyl-benzoic acid Openeye Name: 3-(2-amino-1-methyl-2-oxo-ethyl)sulfonyl-4-ethyl-benzoic acid CAS Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-4-ethylbenzoic acid IUPAC Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-4-ethylbenzoic acid Traditional Name: 3-(2-amino-2-keto-1-methyl-ethyl)sulfonyl-4-ethyl-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C(C)C(=O)N

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C(C)C(=O)N

InChI

InChI=1S/C12H15NO5S/c1-3-8-4-5-9(12(15)16)6-10(8)19(17,18)7(2)11(13)14/h4-7H,3H2,1-2H3,(H2,13,14)(H,15,16)