[2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-[(4-hydroxy-3,5-dimethyl-benzyl)amino]-2-keto-ethyl] ester Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27ClN2O6S/c1-15-10-17(11-16(2)22(15)28)13-25-21(27)14-32-23(29)18-6-7-19(24)20(12-18)33(30,31)26-8-4-3-5-9-26/h6-7,10-12,28H,3-5,8-9,13-14H2,1-2H3,(H,25,27)