tert-butyl N-[2-[1-(4-fluorophenyl)sulfonyl-4-oxidanylidene-piperidin-3-yl]sulfanylethyl]carbamate

Systemtic Name: tert-butyl N-[2-[1-(4-fluorophenyl)sulfonyl-4-oxidanylidene-piperidin-3-yl]sulfanylethyl]carbamate Openeye Name: tert-butyl N-[2-[[1-(4-fluorophenyl)sulfonyl-4-oxo-3-piperidyl]sulfanyl]ethyl]carbamate CAS Name: N-[2-[[1-(4-fluorophenyl)sulfonyl-4-oxo-3-piperidinyl]thio]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[1-(4-fluorophenyl)sulfonyl-4-oxopiperidin-3-yl]sulfanylethyl]carbamate Traditional Name: N-[2-[[1-(4-fluorophenyl)sulfonyl-4-keto-3-piperidyl]thio]ethyl]carbamic acid tert-butyl ester Formula: C18H25FN2O5S2 MolecularWeight: 432.529903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSC1CN(CCC1=O)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)NCCSC1CN(CCC1=O)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H25FN2O5S2/c1-18(2,3)26-17(23)20-9-11-27-16-12-21(10-8-15(16)22)28(24,25)14-6-4-13(19)5-7-14/h4-7,16H,8-12H2,1-3H3,(H,20,23)