ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-indol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-indol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-indolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylindol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C31H31N5O4S MolecularWeight: 569.67394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=C2)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)N(C(=C2)CCC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C31H31N5O4S/c1-3-40-29(37)20-36(41(38,39)28-8-4-6-22-7-5-17-34-30(22)28)26-15-16-27-24(19-26)18-25(35(27)2)14-11-21-9-12-23(13-10-21)31(32)33/h4-10,12-13,15-19H,3,11,14,20H2,1-2H3,(H3,32,33)