N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-4-piperidin-1-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-4-piperidin-1-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-homopiperonyl-1-methyl-4-piperidinosulfonyl-pyrrole-2-carboxamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H25N3O5S/c1-22-13-16(29(25,26)23-9-3-2-4-10-23)12-17(22)20(24)21-8-7-15-5-6-18-19(11-15)28-14-27-18/h5-6,11-13H,2-4,7-10,14H2,1H3,(H,21,24)