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

Systemtic Name: 4-methyl-N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]-N-phenyl-benzenesulfonamide Openeye Name: 4-methyl-N-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]-N-phenyl-benzenesulfonamide CAS Name: 4-methyl-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]-N-phenylbenzenesulfonamide IUPAC Name: 4-methyl-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]-N-phenylbenzenesulfonamide Traditional Name: N-[3-keto-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]-4-methyl-N-phenyl-benzenesulfonamide Formula: C26H31N4O3S+ MolecularWeight: 479.61434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3S/c1-22-7-9-25(10-8-22)34(32,33)30(24-5-3-2-4-6-24)16-13-26(31)29-19-17-28(18-20-29)21-23-11-14-27-15-12-23/h2-12,14-15H,13,16-21H2,1H3/p+1