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

Systemtic Name: 5-morpholin-4-ylsulfonyl-2,4-bis(pyridin-2-ylsulfanyl)benzoate Openeye Name: 5-morpholinosulfonyl-2,4-bis(2-pyridylsulfanyl)benzoate CAS Name: 5-(4-morpholinylsulfonyl)-2,4-bis(2-pyridinylthio)benzoate IUPAC Name: 5-morpholin-4-ylsulfonyl-2,4-bis(pyridin-2-ylsulfanyl)benzoate Traditional Name: 5-morpholinosulfonyl-2,4-bis(2-pyridylthio)benzoate Formula: C21H18N3O5S3- MolecularWeight: 488.57972

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)[O-])SC3=CC=CC=N3)SC4=CC=CC=N4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)[O-])SC3=CC=CC=N3)SC4=CC=CC=N4

InChI

InChI=1S/C21H19N3O5S3/c25-21(26)15-13-18(32(27,28)24-9-11-29-12-10-24)17(31-20-6-2-4-8-23-20)14-16(15)30-19-5-1-3-7-22-19/h1-8,13-14H,9-12H2,(H,25,26)/p-1