ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-3-methyl-6-benzofuranyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C30H29N5O5S MolecularWeight: 571.64676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)C(=C(O2)CNC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)C(=C(O2)CNC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C30H29N5O5S/c1-3-39-28(36)18-35(41(37,38)27-8-4-6-20-7-5-15-33-29(20)27)23-13-14-24-19(2)26(40-25(24)16-23)17-34-22-11-9-21(10-12-22)30(31)32/h4-16,34H,3,17-18H2,1-2H3,(H3,31,32)