2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[methyl(piperonyl)amino]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O5S/c1-23(13-16-7-8-19-20(11-16)29-15-28-19)14-21(25)22-17-5-4-6-18(12-17)30(26,27)24-9-2-3-10-24/h4-8,11-12H,2-3,9-10,13-15H2,1H3,(H,22,25)