[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)N(C)C(C)(C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)N(C)C(C)(C)C#N

InChI

InChI=1S/C20H27N3O5S/c1-15-8-9-16(29(26,27)23-10-6-5-7-11-23)12-17(15)19(25)28-13-18(24)22(4)20(2,3)14-21/h8-9,12H,5-7,10-11,13H2,1-4H3