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

Systemtic Name: 3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-4-methyl-benzoic acid Openeye Name: 3-(2-amino-1-methyl-2-oxo-ethyl)sulfonyl-4-methyl-benzoic acid CAS Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-4-methylbenzoic acid IUPAC Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-4-methylbenzoic acid Traditional Name: 3-(2-amino-2-keto-1-methyl-ethyl)sulfonyl-4-methyl-benzoic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C(C)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C(C)C(=O)N

InChI

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