4-methyl-N-(4-methylphenyl)-N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-(4-methylphenyl)-N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 4-methyl-N-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]-N-(p-tolyl)benzenesulfonamide CAS Name: 4-methyl-N-(4-methylphenyl)-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: 4-methyl-N-(4-methylphenyl)-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]-4-methyl-N-(p-tolyl)benzenesulfonamide Formula: C27H33N4O3S+ MolecularWeight: 493.64092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H32N4O3S/c1-22-3-7-25(8-4-22)31(35(33,34)26-9-5-23(2)6-10-26)16-13-27(32)30-19-17-29(18-20-30)21-24-11-14-28-15-12-24/h3-12,14-15H,13,16-21H2,1-2H3/p+1