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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(=C1C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)OCC)C

InChI

InChI=1S/C24H31N3O7S/c1-5-27-15(3)21(24(29)32-6-2)22(16(27)4)35(30,31)26-11-7-8-17(13-26)23(28)25-18-9-10-19-20(12-18)34-14-33-19/h9-10,12,17H,5-8,11,13-14H2,1-4H3,(H,25,28)