ethyl 1-(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[[1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carbonyl)isonipecotic acid ethyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O5S/c1-3-26-18(23)14-6-10-20(11-7-14)17(22)16-12-15(13-19(16)2)27(24,25)21-8-4-5-9-21/h12-14H,3-11H2,1-2H3