N-(1,3-benzodioxol-5-ylmethyl)-2-(4-octylsulfonylpiperazin-2-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-octylsulfonylpiperazin-2-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-octylsulfonylpiperazin-2-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-octylsulfonyl-2-piperazinyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-octylsulfonylpiperazin-2-yl)acetamide Traditional Name: 2-(4-octylsulfonylpiperazin-2-yl)-N-piperonyl-acetamide Formula: C22H35N3O5S MolecularWeight: 453.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H35N3O5S/c1-2-3-4-5-6-7-12-31(27,28)25-11-10-23-19(16-25)14-22(26)24-15-18-8-9-20-21(13-18)30-17-29-20/h8-9,13,19,23H,2-7,10-12,14-17H2,1H3,(H,24,26)