2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)ethanamide

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-piperonyl-acetamide Formula: C24H27N3O7S MolecularWeight: 501.55208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N3O7S/c28-23(25-13-17-5-7-21-22(11-17)34-16-33-21)14-27-19-12-18(6-8-20(19)32-15-24(27)29)35(30,31)26-9-3-1-2-4-10-26/h5-8,11-12H,1-4,9-10,13-16H2,(H,25,28)