N-(2-methoxy-5-nitro-phenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide CAS Name: N-(2-methoxy-5-nitrophenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]methanesulfonamide IUPAC Name: N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)methanesulfonamide Traditional Name: N-[2-(4-benzylpiperidino)-2-keto-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide Formula: C22H27N3O6S MolecularWeight: 461.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O6S/c1-31-21-9-8-19(25(27)28)15-20(21)24(32(2,29)30)16-22(26)23-12-10-18(11-13-23)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3