N-[4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[4-[[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[4-[4-(4-cyanobenzyl)piperazin-4-ium-1-carbonyl]phenyl]-2,5-dimethyl-benzenesulfonamide Formula: C27H29N4O3S+ MolecularWeight: 489.60916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H28N4O3S/c1-20-3-4-21(2)26(17-20)35(33,34)29-25-11-9-24(10-12-25)27(32)31-15-13-30(14-16-31)19-23-7-5-22(18-28)6-8-23/h3-12,17,29H,13-16,19H2,1-2H3/p+1