ethyl 2-[(2R)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

CCOC(=O)CS[C@H](C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C18H25ClN2O5S2/c1-3-26-17(22)12-27-13(2)18(23)20-16-11-14(7-8-15(16)19)28(24,25)21-9-5-4-6-10-21/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,20,23)/t13-/m1/s1