(2S)-N-(2,5-dimethylphenyl)-2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)propanamide CAS Name: (2S)-2-[4-(3-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: (2S)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)propanamide Traditional Name: (2S)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)propionamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C23H29N3O4S/c1-16-8-9-17(2)22(14-16)24-23(28)18(3)25-10-12-26(13-11-25)31(29,30)21-7-5-6-20(15-21)19(4)27/h5-9,14-15,18H,10-13H2,1-4H3,(H,24,28)/p+1/t18-/m0/s1