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

Systemtic Name: propan-2-yl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: isopropyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-indolyl]-(8-quinolinylsulfonyl)amino]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid isopropyl ester Formula: C31H31N5O4S MolecularWeight: 569.67394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CN(C1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC(C)OC(=O)CN(C1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C31H31N5O4S/c1-20(2)40-29(37)19-36(41(38,39)28-8-4-6-22-7-5-15-34-30(22)28)25-13-14-27-24(17-25)18-26(35(27)3)16-21-9-11-23(12-10-21)31(32)33/h4-15,17-18,20H,16,19H2,1-3H3,(H3,32,33)