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

Systemtic Name: 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-indol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-indolyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methylindol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C28H26N6O4S MolecularWeight: 542.60884

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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=C1CNC5=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=C1CNC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H26N6O4S/c1-33-23(16-32-21-9-7-19(8-10-21)28(29)30)15-20-14-22(11-12-24(20)33)34(17-26(35)36)39(37,38)25-6-2-4-18-5-3-13-31-27(18)25/h2-15,32H,16-17H2,1H3,(H3,29,30)(H,35,36)