2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: N-[(1R)-1-phenylethyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide Traditional Name: N-[(1R)-1-phenylethyl]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-17-8-10-20(11-9-17)28(26,27)24-14-12-23(13-15-24)16-21(25)22-18(2)19-6-4-3-5-7-19/h3-11,18H,12-16H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1