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

Systemtic Name: tert-butyl 5-chloranyl-2-[4-methoxy-4-(methylsulfonylaminomethyl)piperidin-1-yl]sulfonyl-benzoate Openeye Name: tert-butyl 5-chloro-2-[[4-(methanesulfonamidomethyl)-4-methoxy-1-piperidyl]sulfonyl]benzoate CAS Name: 5-chloro-2-[[4-(methanesulfonamidomethyl)-4-methoxy-1-piperidinyl]sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[4-(methanesulfonamidomethyl)-4-methoxypiperidin-1-yl]sulfonylbenzoate Traditional Name: 5-chloro-2-[4-(methanesulfonamidomethyl)-4-methoxy-piperidino]sulfonyl-benzoic acid tert-butyl ester Formula: C19H29ClN2O7S2 MolecularWeight: 497.02576

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN2O7S2/c1-18(2,3)29-17(23)15-12-14(20)6-7-16(15)31(26,27)22-10-8-19(28-4,9-11-22)13-21-30(5,24)25/h6-7,12,21H,8-11,13H2,1-5H3