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

Systemtic Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-(4-piperonylpiperazino)sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C)C)C

InChI

InChI=1S/C22H29N3O6S/c1-5-29-22(26)20-15(2)23(4)16(3)21(20)32(27,28)25-10-8-24(9-11-25)13-17-6-7-18-19(12-17)31-14-30-18/h6-7,12H,5,8-11,13-14H2,1-4H3