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

Systemtic Name: ethyl 4-[3-(furan-2-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-(2-furylmethylcarbamoyl)-1-piperidyl]sulfonyl]-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[3-[(2-furanylmethylamino)-oxomethyl]-1-piperidinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(furan-2-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 4-[3-(2-furfurylcarbamoyl)piperidino]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CO3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CO3)C)C)C

InChI

InChI=1S/C21H29N3O6S/c1-5-29-21(26)18-14(2)23(4)15(3)19(18)31(27,28)24-10-6-8-16(13-24)20(25)22-12-17-9-7-11-30-17/h7,9,11,16H,5-6,8,10,12-13H2,1-4H3,(H,22,25)