2-(benzimidazol-1-yl)-N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]ethanesulfonamide

Systemtic Name: 2-(benzimidazol-1-yl)-N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]ethanesulfonamide Openeye Name: 2-(benzimidazol-1-yl)-N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]ethanesulfonamide CAS Name: 2-(1-benzimidazolyl)-N-[(2R)-4-(4-phenyl-1-piperazin-1-iumyl)butan-2-yl]ethanesulfonamide IUPAC Name: 2-(benzimidazol-1-yl)-N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]ethanesulfonamide Traditional Name: 2-(benzimidazol-1-yl)-N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]ethanesulfonamide Formula: C23H32N5O2S+ MolecularWeight: 442.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)CCN3C=NC4=CC=CC=C43

Isomeric SMILES

C[C@H](CC[NH+]1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)CCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C23H31N5O2S/c1-20(11-12-26-13-15-27(16-14-26)21-7-3-2-4-8-21)25-31(29,30)18-17-28-19-24-22-9-5-6-10-23(22)28/h2-10,19-20,25H,11-18H2,1H3/p+1/t20-/m1/s1