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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S2/c24-21(15-29-17-6-9-19-20(14-17)28-13-3-12-27-19)22-16-4-7-18(8-5-16)30(25,26)23-10-1-2-11-23/h4-9,14H,1-3,10-13,15H2,(H,22,24)