2-[8-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]-2H-quinolin-1-yl]ethanoic acid

Systemtic Name: 2-[8-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]-2H-quinolin-1-yl]ethanoic acid Openeye Name: 2-[8-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]-2H-quinolin-1-yl]acetic acid CAS Name: 2-[8-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]sulfamoyl]-2H-quinolin-1-yl]acetic acid IUPAC Name: 2-[8-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazol-5-yl]sulfamoyl]-2H-quinolin-1-yl]acetic acid Traditional Name: 2-[8-[[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]-2H-quinolin-1-yl]acetic acid Formula: C27H26N6O5S MolecularWeight: 546.59754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N(CC=C4)CC(=O)O)N=C1COC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N(CC=C4)CC(=O)O)N=C1COC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C27H26N6O5S/c1-32-22-12-9-19(14-21(22)30-24(32)16-38-20-10-7-18(8-11-20)27(28)29)31-39(36,37)23-6-2-4-17-5-3-13-33(26(17)23)15-25(34)35/h2-12,14,31H,13,15-16H2,1H3,(H3,28,29)(H,34,35)