N-[3-methoxy-4-(2-oxidanylidenepiperidin-1-yl)phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[3-methoxy-4-(2-oxidanylidenepiperidin-1-yl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-methoxy-4-(2-oxo-1-piperidyl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-methoxy-4-(2-oxo-1-piperidinyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-(2-ketopiperidino)-3-methoxy-phenyl]-2-nitro-benzenesulfonamide Formula: C18H19N3O6S MolecularWeight: 405.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])N3CCCCC3=O

Isomeric SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])N3CCCCC3=O

InChI

InChI=1S/C18H19N3O6S/c1-27-16-12-13(9-10-14(16)20-11-5-4-8-18(20)22)19-28(25,26)17-7-3-2-6-15(17)21(23)24/h2-3,6-7,9-10,12,19H,4-5,8,11H2,1H3