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

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-piperidyl]sulfonyl]-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1-piperidinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[3-(piperonylcarbamoyl)piperidino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H31N3O7S MolecularWeight: 505.58384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C)C)C

InChI

InChI=1S/C24H31N3O7S/c1-5-32-24(29)21-15(2)26(4)16(3)22(21)35(30,31)27-10-6-7-18(13-27)23(28)25-12-17-8-9-19-20(11-17)34-14-33-19/h8-9,11,18H,5-7,10,12-14H2,1-4H3,(H,25,28)