methyl 7-chloranyl-4-oxidanylidene-3-[[4-[(3S)-3-oxidanylpyrrolidin-1-yl]sulfonylphenyl]methyl]-1-phenyl-quinoline-2-carboxylate

Systemtic Name: methyl 7-chloranyl-4-oxidanylidene-3-[[4-[(3S)-3-oxidanylpyrrolidin-1-yl]sulfonylphenyl]methyl]-1-phenyl-quinoline-2-carboxylate Openeye Name: methyl 7-chloro-3-[[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]methyl]-4-oxo-1-phenyl-quinoline-2-carboxylate CAS Name: 7-chloro-3-[[4-[[(3S)-3-hydroxy-1-pyrrolidinyl]sulfonyl]phenyl]methyl]-4-oxo-1-phenyl-2-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-chloro-3-[[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]methyl]-4-oxo-1-phenylquinoline-2-carboxylate Traditional Name: 7-chloro-3-[4-[(3S)-3-hydroxypyrrolidino]sulfonylbenzyl]-4-keto-1-phenyl-quinaldic acid methyl ester Formula: C28H25ClN2O6S MolecularWeight: 553.0259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)C2=C(N1C3=CC=CC=C3)C=C(C=C2)Cl)CC4=CC=C(C=C4)S(=O)(=O)N5CCC(C5)O

Isomeric SMILES

COC(=O)C1=C(C(=O)C2=C(N1C3=CC=CC=C3)C=C(C=C2)Cl)CC4=CC=C(C=C4)S(=O)(=O)N5CC[C@@H](C5)O

InChI

InChI=1S/C28H25ClN2O6S/c1-37-28(34)26-24(15-18-7-10-22(11-8-18)38(35,36)30-14-13-21(32)17-30)27(33)23-12-9-19(29)16-25(23)31(26)20-5-3-2-4-6-20/h2-12,16,21,32H,13-15,17H2,1H3/t21-/m0/s1