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

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[3-(piperonylcarbamoyl)piperidino]sulfonyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O7S/c1-4-31-23(28)20-14(2)25-15(3)21(20)34(29,30)26-9-5-6-17(12-26)22(27)24-11-16-7-8-18-19(10-16)33-13-32-18/h7-8,10,17,25H,4-6,9,11-13H2,1-3H3,(H,24,27)