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

Systemtic Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-indol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-indolyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylindol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C29H27N5O4S MolecularWeight: 541.62078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C=C1CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H27N5O4S/c1-33-23(12-9-19-7-10-21(11-8-19)29(30)31)16-22-17-24(13-14-25(22)33)34(18-27(35)36)39(37,38)26-6-2-4-20-5-3-15-32-28(20)26/h2-8,10-11,13-17H,9,12,18H2,1H3,(H3,30,31)(H,35,36)