(2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(p-tolylmethyl)propanamide CAS Name: (2S)-2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylbenzyl)propionamide Formula: C22H27N4O3S+ MolecularWeight: 427.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H26N4O3S/c1-17-7-9-19(10-8-17)16-24-22(27)18(2)25-11-13-26(14-12-25)30(28,29)21-6-4-3-5-20(21)15-23/h3-10,18H,11-14,16H2,1-2H3,(H,24,27)/p+1/t18-/m0/s1