methyl 3-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl]thio]propionic acid methyl ester Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSCCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSCCC(=O)OC

InChI

InChI=1S/C18H26N2O5S2/c1-14-6-7-15(27(23,24)20-9-4-3-5-10-20)12-16(14)19-17(21)13-26-11-8-18(22)25-2/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,19,21)