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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-indolyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C28H25N5O4S MolecularWeight: 527.5942

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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=C1CC5=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=C1CC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H25N5O4S/c1-32-23(14-18-7-9-20(10-8-18)28(29)30)16-21-15-22(11-12-24(21)32)33(17-26(34)35)38(36,37)25-6-2-4-19-5-3-13-31-27(19)25/h2-13,15-16H,14,17H2,1H3,(H3,29,30)(H,34,35)