[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H26N2O5S2/c1-16-9-10-19(31(27,28)24-11-4-3-5-12-24)14-20(16)22(26)29-15-21(25)23-17-7-6-8-18(13-17)30-2/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,23,25)