N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C22H26FN3O5S MolecularWeight: 463.522343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N(C)C(C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N(C)C(C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O5S/c1-15-4-9-20(26(28)29)14-21(15)32(30,31)25-12-10-18(11-13-25)22(27)24(3)16(2)17-5-7-19(23)8-6-17/h4-9,14,16,18H,10-13H2,1-3H3