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

Systemtic Name: propyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: propyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid propyl ester IUPAC Name: propyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid propyl ester Formula: C30H31N7O4S MolecularWeight: 585.67664

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C30H31N7O4S/c1-3-16-41-28(38)19-37(42(39,40)26-8-4-6-20-7-5-15-33-29(20)26)23-13-14-25-24(17-23)35-27(36(25)2)18-34-22-11-9-21(10-12-22)30(31)32/h4-15,17,34H,3,16,18-19H2,1-2H3,(H3,31,32)