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

Systemtic Name: ethyl 2,5-dimethyl-4-[3-(thiophen-2-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[3-(2-thienylmethylcarbamoyl)-1-piperidyl]sulfonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[3-[oxo-(thiophen-2-ylmethylamino)methyl]-1-piperidinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[3-(thiophen-2-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[3-(2-thenylcarbamoyl)piperidino]sulfonyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CS3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CS3)C)C

InChI

InChI=1S/C20H27N3O5S2/c1-4-28-20(25)17-13(2)22-14(3)18(17)30(26,27)23-9-5-7-15(12-23)19(24)21-11-16-8-6-10-29-16/h6,8,10,15,22H,4-5,7,9,11-12H2,1-3H3,(H,21,24)