2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-N-[(2S)-2-phenyl-2-(phenylsulfonyl)ethyl]ethanamide

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-N-[(2S)-2-phenyl-2-(phenylsulfonyl)ethyl]ethanamide Openeye Name: N-[(2S)-2-(benzenesulfonyl)-2-phenyl-ethyl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-acetamide CAS Name: N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-2-(4-methyl-1-piperazin-4-iumyl)-2-oxoacetamide IUPAC Name: N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide Traditional Name: N-[(2S)-2-besyl-2-phenyl-ethyl]-2-keto-2-(4-methylpiperazin-4-ium-1-yl)acetamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=O)NCC(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C(=O)NC[C@H](C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-23-12-14-24(15-13-23)21(26)20(25)22-16-19(17-8-4-2-5-9-17)29(27,28)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,22,25)/p+1/t19-/m1/s1