3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-methyl-benzenesulfonamide

Systemtic Name: 3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-methyl-benzenesulfonamide Openeye Name: 3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-methyl-benzenesulfonamide CAS Name: 3-[[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-methylbenzenesulfonamide IUPAC Name: 3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-methylbenzenesulfonamide Traditional Name: 3-[4-(4-cyanobenzyl)piperazin-4-ium-1-carbonyl]-4-methyl-benzenesulfonamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-15-2-7-18(28(22,26)27)12-19(15)20(25)24-10-8-23(9-11-24)14-17-5-3-16(13-21)4-6-17/h2-7,12H,8-11,14H2,1H3,(H2,22,26,27)/p+1