ethyl 1-[(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[4-(1-piperidylsulfonyl)-1H-pyrrole-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[4-(1-piperidinylsulfonyl)-1H-pyrrol-2-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(4-piperidinosulfonyl-1H-pyrrole-2-carbonyl)nipecotic acid ethyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H27N3O5S/c1-2-26-18(23)14-7-6-8-20(13-14)17(22)16-11-15(12-19-16)27(24,25)21-9-4-3-5-10-21/h11-12,14,19H,2-10,13H2,1H3