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

Systemtic Name: N-[(1R)-1-phenylbutyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(1R)-1-phenylbutyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[(1R)-1-phenylbutyl]acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-2-9-21(19-10-5-3-6-11-19)23-22(26)18-24-14-16-25(17-15-24)29(27,28)20-12-7-4-8-13-20/h3-8,10-13,21H,2,9,14-18H2,1H3,(H,23,26)/p+1/t21-/m1/s1