N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-5-(1,2-dithiolan-3-yl)pentanamide

Systemtic Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-5-(1,2-dithiolan-3-yl)pentanamide Openeye Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-5-(dithiolan-3-yl)pentanamide CAS Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-5-(3-dithiolanyl)pentanamide IUPAC Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-5-(dithiolan-3-yl)pentanamide Traditional Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-5-(dithiolan-3-yl)valeramide Formula: C22H26N2O5S3 MolecularWeight: 494.64724

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CSSC1CCCCC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N2O5S3/c25-22(4-2-1-3-18-11-14-30-31-18)23-16-5-7-17(8-6-16)24-32(26,27)19-9-10-20-21(15-19)29-13-12-28-20/h5-10,15,18,24H,1-4,11-14H2,(H,23,25)