6-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]hexanoic acid

Systemtic Name: 6-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]hexanoic acid Openeye Name: 6-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]hexanoic acid CAS Name: 6-[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]hexanoic acid IUPAC Name: 6-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]hexanoic acid Traditional Name: 6-[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]hexanoic acid Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O5S/c19-14-8-10-15(11-9-14)27(25,26)21(13-5-1-2-7-17(22)23)16-6-3-4-12-20-18(16)24/h8-11,16H,1-7,12-13H2,(H,20,24)(H,22,23)