[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl] ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O7S/c1-15-5-7-17(32(27,28)24-9-3-2-4-10-24)12-18(15)23-21(25)13-29-22(26)16-6-8-19-20(11-16)31-14-30-19/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,23,25)