2,3-bis(oxidanyl)-2-[(phenylmethylsulfanyl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonyl-propanamide

Systemtic Name: 2,3-bis(oxidanyl)-2-[(phenylmethylsulfanyl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonyl-propanamide Openeye Name: 2-(benzylsulfanylmethyl)-2,3-dihydroxy-3-[4-(4-pyridyl)phenyl]sulfonyl-propanamide CAS Name: 2,3-dihydroxy-2-[(phenylmethylthio)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide IUPAC Name: 2-(benzylsulfanylmethyl)-2,3-dihydroxy-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide Traditional Name: 2-[(benzylthio)methyl]-2,3-dihydroxy-3-[4-(4-pyridyl)phenyl]sulfonyl-propionamide Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=NC=C3)(C(=O)N)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=NC=C3)(C(=O)N)O

InChI

InChI=1S/C22H22N2O5S2/c23-20(25)22(27,15-30-14-16-4-2-1-3-5-16)21(26)31(28,29)19-8-6-17(7-9-19)18-10-12-24-13-11-18/h1-13,21,26-27H,14-15H2,(H2,23,25)