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

Systemtic Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-indol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-indolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methylindol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C30H30N6O4S MolecularWeight: 570.662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=C2)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)N(C(=C2)CNC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C30H30N6O4S/c1-3-40-28(37)19-36(41(38,39)27-8-4-6-20-7-5-15-33-29(20)27)24-13-14-26-22(16-24)17-25(35(26)2)18-34-23-11-9-21(10-12-23)30(31)32/h4-17,34H,3,18-19H2,1-2H3,(H3,31,32)