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

Systemtic Name: ethyl 2,5-dimethyl-4-[4-(pyridin-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[4-(2-pyridylcarbamoyl)-1-piperidyl]sulfonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[4-[oxo-(2-pyridinylamino)methyl]-1-piperidinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[4-(pyridin-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[4-(2-pyridylcarbamoyl)piperidino]sulfonyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=N3)C)C

InChI

InChI=1S/C20H26N4O5S/c1-4-29-20(26)17-13(2)22-14(3)18(17)30(27,28)24-11-8-15(9-12-24)19(25)23-16-7-5-6-10-21-16/h5-7,10,15,22H,4,8-9,11-12H2,1-3H3,(H,21,23,25)