4-[[4-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(2S)-1-tosylprolyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C24H29N4O3S+ MolecularWeight: 453.57706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H28N4O3S/c1-19-4-10-22(11-5-19)32(30,31)28-12-2-3-23(28)24(29)27-15-13-26(14-16-27)18-21-8-6-20(17-25)7-9-21/h4-11,23H,2-3,12-16,18H2,1H3/p+1/t23-/m0/s1