(2R)-N-cyclopropyl-2-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2R)-N-cyclopropyl-2-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-cyclopropyl-2-phenylacetamide IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-2-phenylacetamide Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-N-cyclopropyl-2-phenyl-acetamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3S/c25-21(22-18-11-12-18)20(17-7-3-1-4-8-17)23-13-15-24(16-14-23)28(26,27)19-9-5-2-6-10-19/h1-10,18,20H,11-16H2,(H,22,25)/p+1/t20-/m1/s1