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

Systemtic Name: N-[3-methoxy-4-(2-oxidanylidenepiperidin-1-yl)phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-methoxy-4-(2-oxo-1-piperidyl)phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-methoxy-4-(2-oxo-1-piperidinyl)phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-(2-ketopiperidino)-3-methoxy-phenyl]-4-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=C(C=C2)[N+](=O)[O-])N3CCCCC3=O

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c1-27-17-12-13(5-10-16(17)20-11-3-2-4-18(20)22)19-28(25,26)15-8-6-14(7-9-15)21(23)24/h5-10,12,19H,2-4,11H2,1H3