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

Systemtic Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-3-methyl-6-benzofuranyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C31H30N4O5S MolecularWeight: 570.6587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)C(=C(O2)CCC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)C(=C(O2)CCC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C31H30N4O5S/c1-3-39-29(36)19-35(41(37,38)28-8-4-6-22-7-5-17-34-30(22)28)24-14-15-25-20(2)26(40-27(25)18-24)16-11-21-9-12-23(13-10-21)31(32)33/h4-10,12-15,17-18H,3,11,16,19H2,1-2H3,(H3,32,33)