[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H28N2O6S2/c1-30-20-11-10-18(16-21(20)33(28,29)25-13-6-3-7-14-25)24-22(26)17-31-23(27)12-15-32-19-8-4-2-5-9-19/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3,(H,24,26)