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

Systemtic Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-methyl-quinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-4-methyl-7-quinolyl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-4-methyl-7-quinolinyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-4-methylquinolin-7-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-4-methyl-7-quinolyl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C31H30N6O4S MolecularWeight: 582.6727

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)C(=CC(=N2)CNC3=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)CNC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C31H30N6O4S/c1-3-41-29(38)19-37(42(39,40)28-8-4-6-21-7-5-15-34-30(21)28)25-13-14-26-20(2)16-24(36-27(26)17-25)18-35-23-11-9-22(10-12-23)31(32)33/h4-17,35H,3,18-19H2,1-2H3,(H3,32,33)