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

Systemtic Name: ethyl 1,2,5-trimethyl-4-[3-[(4-methylpyridin-2-yl)carbamoyl]piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-[[3-[(4-methyl-2-pyridyl)carbamoyl]-1-piperidyl]sulfonyl]pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[3-[[(4-methyl-2-pyridinyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-[3-[(4-methylpyridin-2-yl)carbamoyl]piperidin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[3-[(4-methyl-2-pyridyl)carbamoyl]piperidino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5S/c1-6-31-22(28)19-15(3)25(5)16(4)20(19)32(29,30)26-11-7-8-17(13-26)21(27)24-18-12-14(2)9-10-23-18/h9-10,12,17H,6-8,11,13H2,1-5H3,(H,23,24,27)