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

Systemtic Name: ethyl 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C30H28N6O5S MolecularWeight: 584.64552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=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)N(C(=O)C(=N2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C30H28N6O5S/c1-3-41-27(37)18-36(42(39,40)26-8-4-6-20-7-5-15-33-28(20)26)22-13-14-25-23(17-22)34-24(30(38)35(25)2)16-19-9-11-21(12-10-19)29(31)32/h4-15,17H,3,16,18H2,1-2H3,(H3,31,32)