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

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]ethanamide Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-(2-thienyl)ethyl]acetamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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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=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@H](C)C3=CC=CS3)C

InChI

InChI=1S/C20H27N3O3S2/c1-15-6-7-19(16(2)13-15)28(25,26)23-10-8-22(9-11-23)14-20(24)21-17(3)18-5-4-12-27-18/h4-7,12-13,17H,8-11,14H2,1-3H3,(H,21,24)/p+1/t17-/m1/s1