(4-morpholin-4-ylsulfonylphenyl)methyl 2-phenylquinoline-4-carboxylate

Systemtic Name: (4-morpholin-4-ylsulfonylphenyl)methyl 2-phenylquinoline-4-carboxylate Openeye Name: (4-morpholinosulfonylphenyl)methyl 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [4-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (4-morpholin-4-ylsulfonylphenyl)methyl 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid (4-morpholinosulfonylbenzyl) ester Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H24N2O5S/c30-27(24-18-26(21-6-2-1-3-7-21)28-25-9-5-4-8-23(24)25)34-19-20-10-12-22(13-11-20)35(31,32)29-14-16-33-17-15-29/h1-13,18H,14-17,19H2