ethyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-4-methyl-quinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-4-methyl-quinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-4-methyl-7-quinolyl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-4-methyl-7-quinolinyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-4-methylquinolin-7-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-amidinophenoxy)methyl]-4-methyl-7-quinolyl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C31H29N5O5S MolecularWeight: 583.65746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)C(=CC(=N2)COC3=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(=CC(=N2)COC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C31H29N5O5S/c1-3-40-29(37)18-36(42(38,39)28-8-4-6-21-7-5-15-34-30(21)28)24-11-14-26-20(2)16-23(35-27(26)17-24)19-41-25-12-9-22(10-13-25)31(32)33/h4-17H,3,18-19H2,1-2H3,(H3,32,33)