ethyl 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(phenylmethyl)sulfonyl-amino]ethanoate hydroiodide

Systemtic Name: ethyl 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(phenylmethyl)sulfonyl-amino]ethanoate hydroiodide Openeye Name: ethyl 2-[benzylsulfonyl-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]acetate hydroiodide CAS Name: 2-[[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-(phenylmethyl)sulfonylamino]acetic acid ethyl ester hydroiodide IUPAC Name: ethyl 2-[benzylsulfonyl-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]acetate hydroiodide Traditional Name: 2-[[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-benzylsulfonyl-amino]acetic acid ethyl ester hydroiodide Formula: C30H35IN4O5S MolecularWeight: 690.59217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)C(=N)N)S(=O)(=O)CC4=CC=CC=C4.I

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)C(=N)N)S(=O)(=O)CC4=CC=CC=C4.I

InChI

InChI=1S/C30H34N4O5S.HI/c1-2-39-29(36)20-34(40(37,38)21-23-7-4-3-5-8-23)26-15-16-27-25(19-26)9-6-18-33(27)28(35)17-12-22-10-13-24(14-11-22)30(31)32;/h3-5,7-8,10-11,13-16,19H,2,6,9,12,17-18,20-21H2,1H3,(H3,31,32);1H