(3S)-1-(4-chlorophenyl)carbonyl-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-azepan-2-one

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-azepan-2-one Openeye Name: (3S)-1-(4-chlorobenzoyl)-3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-azepan-2-one CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-[(1-oxido-2-pyridin-1-iumyl)thio]-2-azepanone IUPAC Name: (3S)-1-(4-chlorobenzoyl)-3-(1-oxidopyridin-1-ium-2-yl)sulfanylazepan-2-one Traditional Name: (3S)-1-(4-chlorobenzoyl)-3-[(1-oxidopyridin-1-ium-2-yl)thio]azepan-2-one Formula: C18H17ClN2O3S MolecularWeight: 376.85718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=CC=CC=[N+]2[O-])C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)SC2=CC=CC=[N+]2[O-])C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O3S/c19-14-9-7-13(8-10-14)17(22)20-11-3-1-5-15(18(20)23)25-16-6-2-4-12-21(16)24/h2,4,6-10,12,15H,1,3,5,11H2/t15-/m0/s1