ethyl 4-[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-(azepane-1-carbonyl)-1-piperidyl]sulfonyl]-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[3-[1-azepanyl(oxo)methyl]-1-piperidinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 4-[3-(azepane-1-carbonyl)piperidino]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H35N3O5S MolecularWeight: 453.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)N3CCCCCC3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)N3CCCCCC3)C)C)C

InChI

InChI=1S/C22H35N3O5S/c1-5-30-22(27)19-16(2)23(4)17(3)20(19)31(28,29)25-14-10-11-18(15-25)21(26)24-12-8-6-7-9-13-24/h18H,5-15H2,1-4H3