ethyl N-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonylcarbamate

Systemtic Name: ethyl N-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonylcarbamate Openeye Name: ethyl N-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonylcarbamate CAS Name: N-[2-methyl-3-[1-methyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]-6-phenylphenyl]sulfonylcarbamic acid ethyl ester IUPAC Name: ethyl N-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]-6-phenylphenyl]sulfonylcarbamate Traditional Name: N-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonylcarbamic acid ethyl ester Formula: C35H36N5O4S+ MolecularWeight: 622.75644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)S(=O)(=O)NC(=O)OCC)C)C5=NC6=CC=CC=C6N5C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)S(=O)(=O)NC(=O)OCC)C)C5=NC6=CC=CC=C6N5C

InChI

InChI=1S/C35H35N5O4S/c1-6-14-31-37-32-26(34-36-27-18-11-12-19-28(27)39(34)4)17-13-20-30(32)40(31,5)29-22-21-25(24-15-9-8-10-16-24)33(23(29)3)45(42,43)38-35(41)44-7-2/h8-13,15-22H,6-7,14H2,1-5H3/p+1