N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S2/c23-29(24,18-9-10-19-20(15-18)28-14-13-27-19)21-16-5-7-17(8-6-16)30(25,26)22-11-3-1-2-4-12-22/h5-10,15,21H,1-4,11-14H2