ethyl 1-(1,2,5-trimethyl-4-piperidin-1-ylcarbonyl-pyrrol-3-yl)sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(1,2,5-trimethyl-4-piperidin-1-ylcarbonyl-pyrrol-3-yl)sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[[1,2,5-trimethyl-4-[oxo(1-piperidinyl)methyl]-3-pyrrolyl]sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylnipecotic acid ethyl ester Formula: C21H33N3O5S MolecularWeight: 439.56882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCC3)C)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCC3)C)C)C

InChI

InChI=1S/C21H33N3O5S/c1-5-29-21(26)17-10-9-13-24(14-17)30(27,28)19-16(3)22(4)15(2)18(19)20(25)23-11-7-6-8-12-23/h17H,5-14H2,1-4H3