ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-carbamimidoylphenyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-amidinophenyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C31H31N5O5S MolecularWeight: 585.67334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(CCN(C2)C(=O)CC3=CC=C(C=C3)C(=N)N)C=C1)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(CCN(C2)C(=O)CC3=CC=C(C=C3)C(=N)N)C=C1)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C31H31N5O5S/c1-2-41-29(38)20-36(42(39,40)27-7-3-5-23-6-4-15-34-30(23)27)26-13-12-22-14-16-35(19-25(22)18-26)28(37)17-21-8-10-24(11-9-21)31(32)33/h3-13,15,18H,2,14,16-17,19-20H2,1H3,(H3,32,33)