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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NC(C(=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)NC(C(=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/c31-28(32)20-10-13-23(14-11-20)40-18-27(35)34-16-4-7-21-17-22(12-15-25(21)34)33-29(30(36)37)41(38,39)26-9-3-6-19-5-1-2-8-24(19)26/h1-3,5-6,8-15,17,29,33H,4,7,16,18H2,(H3,31,32)(H,36,37)