N-(4-phenoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-phenoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-phenoxyphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(4-phenoxyphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-phenoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4-phenoxyphenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O4S2/c27-22(25-18-8-10-20(11-9-18)30-19-6-2-1-3-7-19)17-31-23-13-12-21(16-24-23)32(28,29)26-14-4-5-15-26/h1-3,6-13,16H,4-5,14-15,17H2,(H,25,27)