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

Systemtic Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-naphthalen-1-ylsulfonyl-ethanoic acid Openeye Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-(1-naphthylsulfonyl)acetic acid CAS Name: 2-[[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-(1-naphthalenylsulfonyl)acetic acid IUPAC Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-naphthalen-1-ylsulfonylacetic acid Traditional Name: 2-[[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-(1-naphthylsulfonyl)acetic acid Formula: C31H30N4O5S MolecularWeight: 570.6587

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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)CCC5=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)CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C31H30N4O5S/c32-29(33)22-13-10-20(11-14-22)12-17-28(36)35-18-4-7-23-19-24(15-16-26(23)35)34-30(31(37)38)41(39,40)27-9-3-6-21-5-1-2-8-25(21)27/h1-3,5-6,8-11,13-16,19,30,34H,4,7,12,17-18H2,(H3,32,33)(H,37,38)