[2-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxo-ethyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C32H28ClN3O5S MolecularWeight: 602.09982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C32H28ClN3O5S/c1-3-36(4-2)42(39,40)22-16-17-27(33)30(18-22)35-31(37)20-41-32(38)26-19-29(34-28-15-8-7-13-25(26)28)24-14-9-11-21-10-5-6-12-23(21)24/h5-19H,3-4,20H2,1-2H3,(H,35,37)