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

Systemtic Name: 3-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonyl-5-chloranyl-2-methoxy-benzoic acid Openeye Name: 3-(3-amino-2-methyl-3-oxo-propyl)sulfonyl-5-chloro-2-methoxy-benzoic acid CAS Name: 3-(3-amino-2-methyl-3-oxopropyl)sulfonyl-5-chloro-2-methoxybenzoic acid IUPAC Name: 3-(3-amino-2-methyl-3-oxopropyl)sulfonyl-5-chloro-2-methoxybenzoic acid Traditional Name: 3-(3-amino-3-keto-2-methyl-propyl)sulfonyl-5-chloro-2-methoxy-benzoic acid Formula: C12H14ClNO6S MolecularWeight: 335.76066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO6S/c1-6(11(14)15)5-21(18,19)9-4-7(13)3-8(12(16)17)10(9)20-2/h3-4,6H,5H2,1-2H3,(H2,14,15)(H,16,17)