ethyl 1,3-diethyl-2-[(E)-2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethenyl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1,3-diethyl-2-[(E)-2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethenyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1,3-diethyl-2-[(E)-2-[N-(p-tolylsulfonyl)anilino]vinyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1,3-diethyl-2-[(E)-2-(N-(4-methylphenyl)sulfonylanilino)ethenyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1,3-diethyl-2-[(E)-2-(N-(4-methylphenyl)sulfonylanilino)ethenyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1,3-diethyl-2-[(E)-2-(N-tosylanilino)vinyl]benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C29H32N3O4S+ MolecularWeight: 518.64708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)OCC)[N+](=C1C=CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C)CC

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)OCC)[N+](=C1/C=C/N(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C)CC

InChI

InChI=1S/C29H32N3O4S/c1-5-30-26-18-15-23(29(33)36-7-3)21-27(26)31(6-2)28(30)19-20-32(24-11-9-8-10-12-24)37(34,35)25-16-13-22(4)14-17-25/h8-21H,5-7H2,1-4H3/q+1