N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O5S/c25-22(23-12-6-1-2-7-13-23)17-24(30(26,27)19-8-4-3-5-9-19)18-10-11-20-21(16-18)29-15-14-28-20/h3-5,8-11,16H,1-2,6-7,12-15,17H2