N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide Formula: C20H21ClN2O5S2 MolecularWeight: 468.97414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C20H21ClN2O5S2/c21-16-5-3-14(11-19(16)30(25,26)23-7-1-2-8-23)22-20(24)13-29-15-4-6-17-18(12-15)28-10-9-27-17/h3-6,11-12H,1-2,7-10,13H2,(H,22,24)