N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]-piperonylamide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H27N3O6S/c1-16-6-8-18(13-21(16)33(29,30)26-10-4-2-3-5-11-26)25-22(27)14-24-23(28)17-7-9-19-20(12-17)32-15-31-19/h6-9,12-13H,2-5,10-11,14-15H2,1H3,(H,24,28)(H,25,27)