2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide

Systemtic Name: 2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H27N3O5S2/c27-21(16-32-22-9-7-18(15-24-22)33(28,29)26-12-4-5-13-26)25-17-6-8-19-20(14-17)31-23(30-19)10-2-1-3-11-23/h6-9,14-15H,1-5,10-13,16H2,(H,25,27)