ethyl 2-[(4-carbamimidoylphenyl)methyl]-6-(phenylsulfonylamino)-1-propyl-2,3-dihydrobenzimidazol-1-ium-1-carboxylate

Systemtic Name: ethyl 2-[(4-carbamimidoylphenyl)methyl]-6-(phenylsulfonylamino)-1-propyl-2,3-dihydrobenzimidazol-1-ium-1-carboxylate Openeye Name: ethyl 6-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]-1-propyl-2,3-dihydrobenzimidazol-1-ium-1-carboxylate CAS Name: 6-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]-1-propyl-2,3-dihydrobenzimidazol-1-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]-1-propyl-2,3-dihydrobenzimidazol-1-ium-1-carboxylate Traditional Name: 2-(4-amidinobenzyl)-6-(benzenesulfonamido)-1-propyl-2,3-dihydrobenzimidazol-1-ium-1-carboxylic acid ethyl ester Formula: C27H32N5O4S+ MolecularWeight: 522.63908

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C(NC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C(=N)N)C(=O)OCC

Isomeric SMILES

CCC[N+]1(C(NC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C(=N)N)C(=O)OCC

InChI

InChI=1S/C27H32N5O4S/c1-3-16-32(27(33)36-4-2)24-18-21(31-37(34,35)22-8-6-5-7-9-22)14-15-23(24)30-25(32)17-19-10-12-20(13-11-19)26(28)29/h5-15,18,25,30-31H,3-4,16-17H2,1-2H3,(H3,28,29)/q+1