N-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C19H22N3O5S+ MolecularWeight: 404.46008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O5S/c1-21-8-10-22(11-9-21)28(24,25)16-5-2-14(3-6-16)19(23)20-15-4-7-17-18(12-15)27-13-26-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)/p+1