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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfonyl-4-ethyl-benzoic acid Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfonyl-4-ethyl-benzoic acid CAS Name: 3-(2-amino-2-oxoethyl)sulfonyl-4-ethylbenzoic acid IUPAC Name: 3-(2-amino-2-oxoethyl)sulfonyl-4-ethylbenzoic acid Traditional Name: 3-(2-amino-2-keto-ethyl)sulfonyl-4-ethyl-benzoic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S/c1-2-7-3-4-8(11(14)15)5-9(7)18(16,17)6-10(12)13/h3-5H,2,6H2,1H3,(H2,12,13)(H,14,15)