3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

Systemtic Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Openeye Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(3-pyridylmethylsulfanyl)phenyl]propanamide CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(3-pyridinylmethylthio)phenyl]propanamide IUPAC Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[4-(3-pyridylmethylthio)phenyl]propionamide Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)OC

InChI

InChI=1S/C23H25N3O5S2/c1-30-21-10-9-20(14-22(21)31-2)33(28,29)25-13-11-23(27)26-18-5-7-19(8-6-18)32-16-17-4-3-12-24-15-17/h3-10,12,14-15,25H,11,13,16H2,1-2H3,(H,26,27)