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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-3-21(19-11-9-18(2)10-12-19)23-22(26)17-24-13-15-25(16-14-24)29(27,28)20-7-5-4-6-8-20/h4-12,21H,3,13-17H2,1-2H3,(H,23,26)/p+1/t21-/m1/s1