methyl 3-[(2R)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[(2R)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[(1R)-2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[(2R)-1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2R)-1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[(1R)-2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C18H25ClN2O5S2 MolecularWeight: 448.9845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)SCCC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)SCCC(=O)OC

InChI

InChI=1S/C18H25ClN2O5S2/c1-13(27-11-8-17(22)26-2)18(23)20-16-12-14(6-7-15(16)19)28(24,25)21-9-4-3-5-10-21/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,20,23)/t13-/m1/s1