2-[4-(2-oxidanylideneazepan-3-yl)sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[4-(2-oxidanylideneazepan-3-yl)sulfonylphenyl]ethanoic acid Openeye Name: 2-[4-(2-oxoazepan-3-yl)sulfonylphenyl]acetic acid CAS Name: 2-[4-[(2-oxo-3-azepanyl)sulfonyl]phenyl]acetic acid IUPAC Name: 2-[4-(2-oxoazepan-3-yl)sulfonylphenyl]acetic acid Traditional Name: 2-[4-(2-ketoazepan-3-yl)sulfonylphenyl]acetic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

C1CCNC(=O)C(C1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C14H17NO5S/c16-13(17)9-10-4-6-11(7-5-10)21(19,20)12-3-1-2-8-15-14(12)18/h4-7,12H,1-3,8-9H2,(H,15,18)(H,16,17)