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

Systemtic Name: tert-butyl 5-chloranyl-2-[4-(methylsulfonylaminomethyl)piperidin-1-yl]sulfonyl-benzoate Openeye Name: tert-butyl 5-chloro-2-[[4-(methanesulfonamidomethyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 5-chloro-2-[[4-(methanesulfonamidomethyl)-1-piperidinyl]sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[4-(methanesulfonamidomethyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 5-chloro-2-[4-(methanesulfonamidomethyl)piperidino]sulfonyl-benzoic acid tert-butyl ester Formula: C18H27ClN2O6S2 MolecularWeight: 466.99978

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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)CNS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O6S2/c1-18(2,3)27-17(22)15-11-14(19)5-6-16(15)29(25,26)21-9-7-13(8-10-21)12-20-28(4,23)24/h5-6,11,13,20H,7-10,12H2,1-4H3