N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzenesulfonamide CAS Name: N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide Traditional Name: N-benzyl-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzenesulfonamide Formula: C19H26N3O4S2+ MolecularWeight: 424.55744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O4S2/c1-20-12-14-22(15-13-20)28(25,26)19-10-8-18(9-11-19)27(23,24)21(2)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3/p+1