ethyl 2-[[3-bromanyl-2-[(4-carbamimidoylphenyl)methyl]-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate hydrochloride

Systemtic Name: ethyl 2-[[3-bromanyl-2-[(4-carbamimidoylphenyl)methyl]-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate hydrochloride Openeye Name: ethyl 2-[[3-bromo-2-[(4-carbamimidoylphenyl)methyl]benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetate hydrochloride CAS Name: 2-[[3-bromo-2-[(4-carbamimidoylphenyl)methyl]-6-benzofuranyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[[3-bromo-2-[(4-carbamimidoylphenyl)methyl]-1-benzofuran-6-yl]-quinolin-8-ylsulfonylamino]acetate hydrochloride Traditional Name: 2-[[2-(4-amidinobenzyl)-3-bromo-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester hydrochloride Formula: C29H26BrClN4O5S MolecularWeight: 657.96254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)C(=C(O2)CC3=CC=C(C=C3)C(=N)N)Br)S(=O)(=O)C4=CC=CC5=C4N=CC=C5.Cl

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)C(=C(O2)CC3=CC=C(C=C3)C(=N)N)Br)S(=O)(=O)C4=CC=CC5=C4N=CC=C5.Cl

InChI

InChI=1S/C29H25BrN4O5S.ClH/c1-2-38-26(35)17-34(40(36,37)25-7-3-5-19-6-4-14-33-28(19)25)21-12-13-22-23(16-21)39-24(27(22)30)15-18-8-10-20(11-9-18)29(31)32;/h3-14,16H,2,15,17H2,1H3,(H3,31,32);1H