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

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-17-9-10-21(18(2)15-17)29(27,28)25-13-11-24(12-14-25)16-22(26)23-19(3)20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)/p+1/t19-/m1/s1