1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[3-(2-methylpropoxy)propyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[3-(2-methylpropoxy)propyl]piperidine-4-carboxamide Openeye Name: N-(3-isobutoxypropyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[3-(2-methylpropoxy)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[3-(2-methylpropoxy)propyl]piperidine-4-carboxamide Traditional Name: N-(3-isobutoxypropyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H31N3O6S MolecularWeight: 441.54164

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)NCCCOCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCCOCC(C)C

InChI

InChI=1S/C20H31N3O6S/c1-15(2)14-29-12-4-9-21-20(24)17-7-10-22(11-8-17)30(27,28)19-13-18(23(25)26)6-5-16(19)3/h5-6,13,15,17H,4,7-12,14H2,1-3H3,(H,21,24)