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

Systemtic Name: ethyl 1,2,5-trimethyl-4-[3-(pyridin-3-ylcarbamoyl)piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-[[3-(3-pyridylcarbamoyl)-1-piperidyl]sulfonyl]pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[3-[oxo-(3-pyridinylamino)methyl]-1-piperidinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-[3-(pyridin-3-ylcarbamoyl)piperidin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[3-(3-pyridylcarbamoyl)piperidino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CN=CC=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CN=CC=C3)C)C)C

InChI

InChI=1S/C21H28N4O5S/c1-5-30-21(27)18-14(2)24(4)15(3)19(18)31(28,29)25-11-7-8-16(13-25)20(26)23-17-9-6-10-22-12-17/h6,9-10,12,16H,5,7-8,11,13H2,1-4H3,(H,23,26)