(2R)-N-(3-cyanophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-cyanophenyl)-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H24N4O3S/c1-16-6-8-20(9-7-16)29(27,28)25-12-10-24(11-13-25)17(2)21(26)23-19-5-3-4-18(14-19)15-22/h3-9,14,17H,10-13H2,1-2H3,(H,23,26)/p+1/t17-/m1/s1