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

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-piperidyl]sulfonyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1-piperidinyl]sulfonyl]-1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-4-[3-(piperonylcarbamoyl)piperidino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H33N3O7S MolecularWeight: 519.61042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(=C1C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)OCC)C

InChI

InChI=1S/C25H33N3O7S/c1-5-28-16(3)22(25(30)33-6-2)23(17(28)4)36(31,32)27-11-7-8-19(14-27)24(29)26-13-18-9-10-20-21(12-18)35-15-34-20/h9-10,12,19H,5-8,11,13-15H2,1-4H3,(H,26,29)