4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonylbenzoic acid

Systemtic Name: 4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonylbenzoic acid Openeye Name: 4-(3-amino-2-methyl-3-oxo-propyl)sulfonylbenzoic acid CAS Name: 4-(3-amino-2-methyl-3-oxopropyl)sulfonylbenzoic acid IUPAC Name: 4-(3-amino-2-methyl-3-oxopropyl)sulfonylbenzoic acid Traditional Name: 4-(3-amino-3-keto-2-methyl-propyl)sulfonylbenzoic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=CC=C(C=C1)C(=O)O)C(=O)N

Isomeric SMILES

CC(CS(=O)(=O)C1=CC=C(C=C1)C(=O)O)C(=O)N

InChI

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