N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N2O6S/c1-29-19-8-6-18(7-9-19)25(17-23(26)24-12-4-2-3-5-13-24)32(27,28)20-10-11-21-22(16-20)31-15-14-30-21/h6-11,16H,2-5,12-15,17H2,1H3