[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O5S2/c1-30-19-7-5-6-18(15-19)23-21(25)16-29-22(26)14-17-8-10-20(11-9-17)31(27,28)24-12-3-2-4-13-24/h5-11,15H,2-4,12-14,16H2,1H3,(H,23,25)