(2R)-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)-N-phenyl-propionamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-16-14-17(2)21(18(3)15-16)29(27,28)25-12-10-24(11-13-25)19(4)22(26)23-20-8-6-5-7-9-20/h5-9,14-15,19H,10-13H2,1-4H3,(H,23,26)/p+1/t19-/m1/s1