2-[[1-[2-(4-carbamimidoylphenoxy)ethanoyl]-3,4-dihydro-2H-quinolin-6-yl]-naphthalen-1-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[1-[2-(4-carbamimidoylphenoxy)ethanoyl]-3,4-dihydro-2H-quinolin-6-yl]-naphthalen-1-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[1-[2-(4-carbamimidoylphenoxy)acetyl]-3,4-dihydro-2H-quinolin-6-yl]-(1-naphthylsulfonyl)amino]acetic acid CAS Name: 2-[[1-[2-(4-carbamimidoylphenoxy)-1-oxoethyl]-3,4-dihydro-2H-quinolin-6-yl]-(1-naphthalenylsulfonyl)amino]acetic acid IUPAC Name: 2-[[1-[2-(4-carbamimidoylphenoxy)acetyl]-3,4-dihydro-2H-quinolin-6-yl]-naphthalen-1-ylsulfonylamino]acetic acid Traditional Name: 2-[[1-[2-(4-amidinophenoxy)acetyl]-3,4-dihydro-2H-quinolin-6-yl]-(1-naphthylsulfonyl)amino]acetic acid Formula: C30H28N4O6S MolecularWeight: 572.63152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43)N(C1)C(=O)COC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43)N(C1)C(=O)COC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C30H28N4O6S/c31-30(32)21-10-13-24(14-11-21)40-19-28(35)33-16-4-7-22-17-23(12-15-26(22)33)34(18-29(36)37)41(38,39)27-9-3-6-20-5-1-2-8-25(20)27/h1-3,5-6,8-15,17H,4,7,16,18-19H2,(H3,31,32)(H,36,37)