ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-cyclopropyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-cyclopropyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-cyclopropyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-cyclopropyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-cyclopropylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-1-cyclopropyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C32H32N6O4S MolecularWeight: 596.69928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C(=N)N)C4CC4)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C(=N)N)C4CC4)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C32H32N6O4S/c1-2-42-30(39)20-37(43(40,41)28-7-3-5-22-6-4-18-35-31(22)28)25-15-16-27-26(19-25)36-29(38(27)24-13-14-24)17-10-21-8-11-23(12-9-21)32(33)34/h3-9,11-12,15-16,18-19,24H,2,10,13-14,17,20H2,1H3,(H3,33,34)