(2R)-1-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxamide

Systemtic Name: (2R)-1-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxamide Openeye Name: (2R)-1-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide CAS Name: (2R)-1-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-1-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide Traditional Name: (2R)-1-[2-(4-besylpiperazin-1-ium-1-yl)acetyl]pipecolinamide Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN([C@H](C1)C(=O)N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H26N4O4S/c19-18(24)16-8-4-5-9-22(16)17(23)14-20-10-12-21(13-11-20)27(25,26)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H2,19,24)/p+1/t16-/m1/s1