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

Systemtic Name: ethyl 2,5-dimethyl-4-[4-(2-thiophen-2-ylethylcarbamoyl)piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[4-[2-(2-thienyl)ethylcarbamoyl]-1-piperidyl]sulfonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[4-[oxo-(2-thiophen-2-ylethylamino)methyl]-1-piperidinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[4-(2-thiophen-2-ylethylcarbamoyl)piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[4-[2-(2-thienyl)ethylcarbamoyl]piperidino]sulfonyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H29N3O5S2 MolecularWeight: 467.60206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CS3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CS3)C)C

InChI

InChI=1S/C21H29N3O5S2/c1-4-29-21(26)18-14(2)23-15(3)19(18)31(27,28)24-11-8-16(9-12-24)20(25)22-10-7-17-6-5-13-30-17/h5-6,13,16,23H,4,7-12H2,1-3H3,(H,22,25)