(2R)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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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=C(C=C3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-16-5-6-17(2)22(15-16)31(29,30)26-13-11-25(12-14-26)18(3)23(28)24-21-9-7-20(8-10-21)19(4)27/h5-10,15,18H,11-14H2,1-4H3,(H,24,28)/p+1/t18-/m1/s1