4-chloranyl-3-(2-oxidanylideneazepan-3-yl)sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-(2-oxidanylideneazepan-3-yl)sulfonyl-benzoic acid Openeye Name: 4-chloro-3-(2-oxoazepan-3-yl)sulfonyl-benzoic acid CAS Name: 4-chloro-3-[(2-oxo-3-azepanyl)sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-(2-oxoazepan-3-yl)sulfonylbenzoic acid Traditional Name: 4-chloro-3-(2-ketoazepan-3-yl)sulfonyl-benzoic acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO5S/c14-9-5-4-8(13(17)18)7-11(9)21(19,20)10-3-1-2-6-15-12(10)16/h4-5,7,10H,1-3,6H2,(H,15,16)(H,17,18)