methyl 5-morpholin-4-ylsulfonyl-2,4-bis(pyridin-2-ylsulfanyl)benzoate

Systemtic Name: methyl 5-morpholin-4-ylsulfonyl-2,4-bis(pyridin-2-ylsulfanyl)benzoate Openeye Name: methyl 5-morpholinosulfonyl-2,4-bis(2-pyridylsulfanyl)benzoate CAS Name: 5-(4-morpholinylsulfonyl)-2,4-bis(2-pyridinylthio)benzoic acid methyl ester IUPAC Name: methyl 5-morpholin-4-ylsulfonyl-2,4-bis(pyridin-2-ylsulfanyl)benzoate Traditional Name: 5-morpholinosulfonyl-2,4-bis(2-pyridylthio)benzoic acid methyl ester Formula: C22H21N3O5S3 MolecularWeight: 503.61424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1SC2=CC=CC=N2)SC3=CC=CC=N3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1SC2=CC=CC=N2)SC3=CC=CC=N3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H21N3O5S3/c1-29-22(26)16-14-19(33(27,28)25-10-12-30-13-11-25)18(32-21-7-3-5-9-24-21)15-17(16)31-20-6-2-4-8-23-20/h2-9,14-15H,10-13H2,1H3