2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[2-keto-2-(piperonylamino)ethoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C21H23N3O7S/c22-21(26)16-10-15(32(27,28)24-7-1-2-8-24)4-6-17(16)29-12-20(25)23-11-14-3-5-18-19(9-14)31-13-30-18/h3-6,9-10H,1-2,7-8,11-13H2,(H2,22,26)(H,23,25)