3-methylbutyl 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate

Systemtic Name: 3-methylbutyl 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate Openeye Name: isopentyl 1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxylate CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotic acid isoamyl ester Formula: C21H31N3O7S MolecularWeight: 469.55174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O7S/c1-16(2)7-12-31-21(25)17-5-8-22(9-6-17)19-4-3-18(15-20(19)24(26)27)32(28,29)23-10-13-30-14-11-23/h3-4,15-17H,5-14H2,1-2H3