[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-propylsulfonylphenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-propylsulfonylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-propylsulfonylphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-propylsulfonylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-propylsulfonylphenyl)methanone Traditional Name: (4-piperonylpiperazino)-(2-propylsulfonylphenyl)methanone Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O5S/c1-2-13-30(26,27)21-6-4-3-5-18(21)22(25)24-11-9-23(10-12-24)15-17-7-8-19-20(14-17)29-16-28-19/h3-8,14H,2,9-13,15-16H2,1H3