N-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(4-brosylpiperazin-1-ium-1-yl)acetamide Formula: C19H21BrN3O5S+ MolecularWeight: 483.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H20BrN3O5S/c20-14-1-4-16(5-2-14)29(25,26)23-9-7-22(8-10-23)12-19(24)21-15-3-6-17-18(11-15)28-13-27-17/h1-6,11H,7-10,12-13H2,(H,21,24)/p+1