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

Systemtic Name: ethyl 2,5-dimethyl-4-[3-[(3-methylpyridin-2-yl)carbamoyl]piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[3-[(3-methyl-2-pyridyl)carbamoyl]-1-piperidyl]sulfonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[3-[[(3-methyl-2-pyridinyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[3-[(3-methylpyridin-2-yl)carbamoyl]piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[3-[(3-methyl-2-pyridyl)carbamoyl]piperidino]sulfonyl-1H-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(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=CC=N3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=CC=N3)C)C)C

InChI

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