N,N,1-triethyl-2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-triethyl-2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[[(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methylthio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylthio]benzimidazole-5-sulfonamide Formula: C22H37N4O3S2+ MolecularWeight: 469.68418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3C[NH+](CCO3)CC(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SC[C@H]3C[NH+](CCO3)CC(C)C

InChI

InChI=1S/C22H36N4O3S2/c1-6-25(7-2)31(27,28)19-9-10-21-20(13-19)23-22(26(21)8-3)30-16-18-15-24(11-12-29-18)14-17(4)5/h9-10,13,17-18H,6-8,11-12,14-16H2,1-5H3/p+1/t18-/m1/s1