N-[4-(thiophen-2-ylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-(thiophen-2-ylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-(2-thienylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-(thiophen-2-ylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-(thiophen-2-ylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(2-thienylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H18N2O6S3 MolecularWeight: 466.55102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4)OC1

InChI

InChI=1S/C19H18N2O6S3/c22-29(23,16-8-9-17-18(13-16)27-11-2-10-26-17)20-14-4-6-15(7-5-14)21-30(24,25)19-3-1-12-28-19/h1,3-9,12-13,20-21H,2,10-11H2