6-(methylsulfonylamino)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-benzimidazole-4-carboxamide

Systemtic Name: 6-(methylsulfonylamino)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-benzimidazole-4-carboxamide Openeye Name: 6-(methanesulfonamido)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-benzimidazole-4-carboxamide CAS Name: 6-(methanesulfonamido)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenethyl-4-benzimidazolecarboxamide IUPAC Name: 6-(methanesulfonamido)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenethylbenzimidazole-4-carboxamide Traditional Name: 6-(methanesulfonamido)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-benzimidazole-4-carboxamide Formula: C23H30N5O4S+ MolecularWeight: 472.5804

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(C(=C1)C(=O)NCC[NH+]3CCOCC3)N(C=N2)CCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(C(=C1)C(=O)NCC[NH+]3CCOCC3)N(C=N2)CCC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O4S/c1-33(30,31)26-19-15-20(23(29)24-8-10-27-11-13-32-14-12-27)22-21(16-19)25-17-28(22)9-7-18-5-3-2-4-6-18/h2-6,15-17,26H,7-14H2,1H3,(H,24,29)/p+1