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

Systemtic Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate hydrochloride Openeye Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetate hydrochloride CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-methyl-6-benzofuranyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonylamino]acetate hydrochloride Traditional Name: 2-[[2-(4-amidinobenzyl)-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester hydrochloride Formula: C30H29ClN4O5S MolecularWeight: 593.09306

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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)C)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)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5.Cl

InChI

InChI=1S/C30H28N4O5S.ClH/c1-3-38-28(35)18-34(40(36,37)27-8-4-6-21-7-5-15-33-29(21)27)23-13-14-24-19(2)25(39-26(24)17-23)16-20-9-11-22(12-10-20)30(31)32;/h4-15,17H,3,16,18H2,1-2H3,(H3,31,32);1H