N-(1,3-benzodioxol-5-yl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(4-ethylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(4-esylpiperazino)methyl]benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O5S/c1-2-30(26,27)24-11-9-23(10-12-24)14-16-3-5-17(6-4-16)21(25)22-18-7-8-19-20(13-18)29-15-28-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,22,25)