(2S)-N,N-diethyl-2-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-3-23(4-2)22(26)21(19-11-7-5-8-12-19)24-15-17-25(18-16-24)29(27,28)20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3/p+1/t21-/m0/s1