N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]azepane-1-sulfonamide

Systemtic Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]azepane-1-sulfonamide Openeye Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]azepane-1-sulfonamide CAS Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-1-azepanesulfonamide IUPAC Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]azepane-1-sulfonamide Traditional Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]azepane-1-sulfonamide Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H25N3O6S2/c24-30(25,18-9-10-19-20(15-18)29-14-13-28-19)21-16-5-7-17(8-6-16)22-31(26,27)23-11-3-1-2-4-12-23/h5-10,15,21-22H,1-4,11-14H2