N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloranyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloranyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: 2-(2-chloro-4-pyrrolidinosulfonyl-phenoxy)-N-piperonyl-acetamide Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6S/c21-16-10-15(30(25,26)23-7-1-2-8-23)4-6-17(16)27-12-20(24)22-11-14-3-5-18-19(9-14)29-13-28-18/h3-6,9-10H,1-2,7-8,11-13H2,(H,22,24)