2-[[2-[(4-carbamimidoylphenyl)methyl]-3-ethoxy-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid hydrochloride

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-ethoxy-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid hydrochloride Openeye Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-ethoxy-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetic acid hydrochloride CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-ethoxy-6-benzofuranyl]-(8-quinolinylsulfonyl)amino]acetic acid hydrochloride IUPAC Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-ethoxy-1-benzofuran-6-yl]-quinolin-8-ylsulfonylamino]acetic acid hydrochloride Traditional Name: 2-[[2-(4-amidinobenzyl)-3-ethoxy-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetic acid hydrochloride Formula: C29H27ClN4O6S MolecularWeight: 595.06588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(OC2=C1C=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)C(=N)N.Cl

Isomeric SMILES

CCOC1=C(OC2=C1C=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)C(=N)N.Cl

InChI

InChI=1S/C29H26N4O6S.ClH/c1-2-38-28-22-13-12-21(16-23(22)39-24(28)15-18-8-10-20(11-9-18)29(30)31)33(17-26(34)35)40(36,37)25-7-3-5-19-6-4-14-32-27(19)25;/h3-14,16H,2,15,17H2,1H3,(H3,30,31)(H,34,35);1H