ethyl 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)isonipecotic acid ethyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6S/c1-2-27-18(22)14-7-11-19(12-8-14)16-6-5-15(13-17(16)21(23)24)28(25,26)20-9-3-4-10-20/h5-6,13-14H,2-4,7-12H2,1H3