ethyl 4-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]butanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CCCN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H25ClN2O5S/c1-2-26-17(22)7-5-13-21(16-6-3-4-12-20-18(16)23)27(24,25)15-10-8-14(19)9-11-15/h8-11,16H,2-7,12-13H2,1H3,(H,20,23)