5-(3-azanyl-3-oxidanylidene-propyl)sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-(3-azanyl-3-oxidanylidene-propyl)sulfonyl-2-methyl-benzoic acid Openeye Name: 5-(3-amino-3-oxo-propyl)sulfonyl-2-methyl-benzoic acid CAS Name: 5-(3-amino-3-oxopropyl)sulfonyl-2-methylbenzoic acid IUPAC Name: 5-(3-amino-3-oxopropyl)sulfonyl-2-methylbenzoic acid Traditional Name: 5-(3-amino-3-keto-propyl)sulfonyl-2-methyl-benzoic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S/c1-7-2-3-8(6-9(7)11(14)15)18(16,17)5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H2,12,13)(H,14,15)