N-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]-piperonylamide Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O7S/c1-31-19-9-7-17(34(29,30)26-10-4-2-3-5-11-26)13-18(19)25-22(27)14-24-23(28)16-6-8-20-21(12-16)33-15-32-20/h6-9,12-13H,2-5,10-11,14-15H2,1H3,(H,24,28)(H,25,27)