ethyl 2-[[1-[2-(4-carbamimidoylphenoxy)ethanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-naphthalen-1-ylsulfonyl-ethanoate hydroiodide

Systemtic Name: ethyl 2-[[1-[2-(4-carbamimidoylphenoxy)ethanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-naphthalen-1-ylsulfonyl-ethanoate hydroiodide Openeye Name: ethyl 2-[[1-[2-(4-carbamimidoylphenoxy)acetyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-(1-naphthylsulfonyl)acetate hydroiodide CAS Name: 2-[[1-[2-(4-carbamimidoylphenoxy)-1-oxoethyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-(1-naphthalenylsulfonyl)acetic acid ethyl ester hydroiodide IUPAC Name: ethyl 2-[[1-[2-(4-carbamimidoylphenoxy)acetyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-naphthalen-1-ylsulfonylacetate hydroiodide Traditional Name: 2-[[1-[2-(4-amidinophenoxy)acetyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-(1-naphthylsulfonyl)acetic acid ethyl ester hydroiodide Formula: C32H33IN4O6S MolecularWeight: 728.59709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(NC1=CC2=C(C=C1)N(CCC2)C(=O)COC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC5=CC=CC=C54.I

Isomeric SMILES

CCOC(=O)C(NC1=CC2=C(C=C1)N(CCC2)C(=O)COC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC5=CC=CC=C54.I

InChI

InChI=1S/C32H32N4O6S.HI/c1-2-41-32(38)31(43(39,40)28-11-5-8-21-7-3-4-10-26(21)28)35-24-14-17-27-23(19-24)9-6-18-36(27)29(37)20-42-25-15-12-22(13-16-25)30(33)34;/h3-5,7-8,10-17,19,31,35H,2,6,9,18,20H2,1H3,(H3,33,34);1H