2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23NO5S2/c23-19(15-28-17-6-9-20-21(14-17)27-13-3-12-26-20)16-4-7-18(8-5-16)29(24,25)22-10-1-2-11-22/h4-9,14H,1-3,10-13,15H2