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

Systemtic Name: ethyl 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-naphthalen-2-ylsulfonyl-ethanoate Openeye Name: ethyl 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-(2-naphthylsulfonyl)acetate CAS Name: 2-[[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-(2-naphthalenylsulfonyl)acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-naphthalen-2-ylsulfonylacetate Traditional Name: 2-[[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-2-(2-naphthylsulfonyl)acetic acid ethyl ester Formula: C33H34N4O5S MolecularWeight: 598.71186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(NC1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCOC(=O)C(NC1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C33H34N4O5S/c1-2-42-33(39)32(43(40,41)28-16-14-23-6-3-4-7-25(23)21-28)36-27-15-17-29-26(20-27)8-5-19-37(29)30(38)18-11-22-9-12-24(13-10-22)31(34)35/h3-4,6-7,9-10,12-17,20-21,32,36H,2,5,8,11,18-19H2,1H3,(H3,34,35)