N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-homopiperonyl-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N2O6S/c1-27-18-7-5-16(13-20(18)30(25,26)23-10-2-3-11-23)21(24)22-9-8-15-4-6-17-19(12-15)29-14-28-17/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,22,24)