tert-butyl 5-chloranyl-2-[4-(cyclopropylmethyl)-4-(methylsulfonylaminomethyl)piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: tert-butyl 5-chloranyl-2-[4-(cyclopropylmethyl)-4-(methylsulfonylaminomethyl)piperidin-1-yl]sulfonyl-benzoate Openeye Name: tert-butyl 5-chloro-2-[[4-(cyclopropylmethyl)-4-(methanesulfonamidomethyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 5-chloro-2-[[4-(cyclopropylmethyl)-4-(methanesulfonamidomethyl)-1-piperidinyl]sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[4-(cyclopropylmethyl)-4-(methanesulfonamidomethyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 5-chloro-2-[4-(cyclopropylmethyl)-4-(methanesulfonamidomethyl)piperidino]sulfonyl-benzoic acid tert-butyl ester Formula: C22H33ClN2O6S2 MolecularWeight: 521.09022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)(CC3CC3)CNS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)(CC3CC3)CNS(=O)(=O)C

InChI

InChI=1S/C22H33ClN2O6S2/c1-21(2,3)31-20(26)18-13-17(23)7-8-19(18)33(29,30)25-11-9-22(10-12-25,14-16-5-6-16)15-24-32(4,27)28/h7-8,13,16,24H,5-6,9-12,14-15H2,1-4H3