N-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyanophenyl)-N-cyclopentyl-methanesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyanophenyl)-N-cyclopentyl-methanesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyanophenyl)-N-cyclopentyl-methanesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyanophenyl)-N-cyclopentylmethanesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyanophenyl)-N-cyclopentylmethanesulfonamide Traditional Name: 1-(2-cyanophenyl)-N-cyclopentyl-N-piperonyl-methanesulfonamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=CC=C4C#N

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=CC=C4C#N

InChI

InChI=1S/C21H22N2O4S/c22-12-17-5-1-2-6-18(17)14-28(24,25)23(19-7-3-4-8-19)13-16-9-10-20-21(11-16)27-15-26-20/h1-2,5-6,9-11,19H,3-4,7-8,13-15H2