(2R)-N-(2-phenylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-phenylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-phenylphenyl)propanamide IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-N-(2-phenylphenyl)propionamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-20(25(29)26-24-15-9-8-14-23(24)21-10-4-2-5-11-21)27-16-18-28(19-17-27)32(30,31)22-12-6-3-7-13-22/h2-15,20H,16-19H2,1H3,(H,26,29)/p+1/t20-/m1/s1