N-[2-(4-cyanophenyl)carbonyl-1-methyl-benzimidazol-5-yl]-1-(2-morpholin-4-ylethyl)quinolin-1-ium-8-sulfonamide

Systemtic Name: N-[2-(4-cyanophenyl)carbonyl-1-methyl-benzimidazol-5-yl]-1-(2-morpholin-4-ylethyl)quinolin-1-ium-8-sulfonamide Openeye Name: N-[2-(4-cyanobenzoyl)-1-methyl-benzimidazol-5-yl]-1-(2-morpholinoethyl)quinolin-1-ium-8-sulfonamide CAS Name: N-[2-[(4-cyanophenyl)-oxomethyl]-1-methyl-5-benzimidazolyl]-1-[2-(4-morpholinyl)ethyl]-8-quinolin-1-iumsulfonamide IUPAC Name: N-[2-(4-cyanobenzoyl)-1-methylbenzimidazol-5-yl]-1-(2-morpholin-4-ylethyl)quinolin-1-ium-8-sulfonamide Traditional Name: N-[2-(4-cyanobenzoyl)-1-methyl-benzimidazol-5-yl]-1-(2-morpholinoethyl)quinolin-1-ium-8-sulfonamide Formula: C31H29N6O4S+ MolecularWeight: 581.66476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3[N+](=CC=C4)CCN5CCOCC5)N=C1C(=O)C6=CC=C(C=C6)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3[N+](=CC=C4)CCN5CCOCC5)N=C1C(=O)C6=CC=C(C=C6)C#N

InChI

InChI=1S/C31H29N6O4S/c1-35-27-12-11-25(20-26(27)33-31(35)30(38)24-9-7-22(21-32)8-10-24)34-42(39,40)28-6-2-4-23-5-3-13-37(29(23)28)15-14-36-16-18-41-19-17-36/h2-13,20,34H,14-19H2,1H3/q+1