[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)sulfanylethanoate

Systemtic Name: [2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)sulfanylethanoate Openeye Name: [2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-(2-chlorophenyl)sulfanylacetate CAS Name: 2-[(2-chlorophenyl)thio]acetic acid [2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate Traditional Name: 2-[(2-chlorophenyl)thio]acetic acid [2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl] ester Formula: C22H25ClN2O5S2 MolecularWeight: 497.0273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)CSC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)CSC3=CC=CC=C3Cl

InChI

InChI=1S/C22H25ClN2O5S2/c1-16-9-10-17(32(28,29)25-11-5-2-6-12-25)13-19(16)24-21(26)14-30-22(27)15-31-20-8-4-3-7-18(20)23/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H,24,26)