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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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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)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S/c1-15-7-8-16(28(25,26)22-11-4-3-5-12-22)13-17(15)19(24)27-14-18(23)21(2)10-6-9-20/h7-8,13H,3-6,10-12,14H2,1-2H3