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

Systemtic Name: 2-methylpropyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: isobutyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid isobutyl ester Formula: C31H32N6O4S MolecularWeight: 584.68858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC(C)COC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C31H32N6O4S/c1-20(2)19-41-29(38)18-37(42(39,40)27-8-4-6-22-7-5-15-34-30(22)27)24-13-14-26-25(17-24)35-28(36(26)3)16-21-9-11-23(12-10-21)31(32)33/h4-15,17,20H,16,18-19H2,1-3H3,(H3,32,33)