(2R)-N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-acetamidophenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-acetamidophenyl)-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-16-4-10-21(11-5-16)31(29,30)26-14-12-25(13-15-26)17(2)22(28)24-20-8-6-19(7-9-20)23-18(3)27/h4-11,17H,12-15H2,1-3H3,(H,23,27)(H,24,28)/p+1/t17-/m1/s1