ethyl 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-isoquinolin-5-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-isoquinolin-5-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(5-isoquinolylsulfonyl)amino]acetate CAS Name: 2-[[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-(5-isoquinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-isoquinolin-5-ylsulfonylamino]acetate Traditional Name: 2-[[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(5-isoquinolylsulfonyl)amino]acetic acid ethyl ester Formula: C32H33N5O5S MolecularWeight: 599.69992

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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)C4=CC=CC5=C4C=CN=C5

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)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C32H33N5O5S/c1-2-42-31(39)21-37(43(40,41)29-7-3-5-25-20-35-17-16-27(25)29)26-13-14-28-24(19-26)6-4-18-36(28)30(38)15-10-22-8-11-23(12-9-22)32(33)34/h3,5,7-9,11-14,16-17,19-20H,2,4,6,10,15,18,21H2,1H3,(H3,33,34)