N-[(1S,2R)-2-(6-chloranylpyridin-3-yl)-4-oxidanylidene-cyclohexyl]-4-methyl-N-(4-methylphenyl)sulfonyl-benzenesulfonamide

Systemtic Name: N-[(1S,2R)-2-(6-chloranylpyridin-3-yl)-4-oxidanylidene-cyclohexyl]-4-methyl-N-(4-methylphenyl)sulfonyl-benzenesulfonamide Openeye Name: N-[(1S,2R)-2-(6-chloro-3-pyridyl)-4-oxo-cyclohexyl]-4-methyl-N-(p-tolylsulfonyl)benzenesulfonamide CAS Name: N-[(1S,2R)-2-(6-chloro-3-pyridinyl)-4-oxocyclohexyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide IUPAC Name: N-[(1S,2R)-2-(6-chloropyridin-3-yl)-4-oxocyclohexyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide Traditional Name: N-[(1S,2R)-2-(6-chloro-3-pyridyl)-4-keto-cyclohexyl]-4-methyl-N-tosyl-benzenesulfonamide Formula: C25H25ClN2O5S2 MolecularWeight: 533.0594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2CCC(=O)CC2C3=CN=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N([C@H]2CCC(=O)C[C@@H]2C3=CN=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H25ClN2O5S2/c1-17-3-9-21(10-4-17)34(30,31)28(35(32,33)22-11-5-18(2)6-12-22)24-13-8-20(29)15-23(24)19-7-14-25(26)27-16-19/h3-7,9-12,14,16,23-24H,8,13,15H2,1-2H3/t23-,24+/m1/s1