[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C22H25ClN2O7S2 MolecularWeight: 529.0261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25ClN2O7S2/c1-15-6-7-16(12-20(15)34(30,31)25-10-4-3-5-11-25)22(27)32-14-21(26)24-19-13-17(33(2,28)29)8-9-18(19)23/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,24,26)