tert-butyl N-[2-methyl-2-[1-(4-methylphenyl)sulfonyl-4-oxidanylidene-piperidin-3-yl]sulfanyl-propyl]carbamate

Systemtic Name: tert-butyl N-[2-methyl-2-[1-(4-methylphenyl)sulfonyl-4-oxidanylidene-piperidin-3-yl]sulfanyl-propyl]carbamate Openeye Name: tert-butyl N-[2-methyl-2-[[4-oxo-1-(p-tolylsulfonyl)-3-piperidyl]sulfanyl]propyl]carbamate CAS Name: N-[2-methyl-2-[[1-(4-methylphenyl)sulfonyl-4-oxo-3-piperidinyl]thio]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-methyl-2-[1-(4-methylphenyl)sulfonyl-4-oxopiperidin-3-yl]sulfanylpropyl]carbamate Traditional Name: N-[2-[(4-keto-1-tosyl-3-piperidyl)thio]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C21H32N2O5S2 MolecularWeight: 456.61918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)C(C2)SC(C)(C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)C(C2)SC(C)(C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N2O5S2/c1-15-7-9-16(10-8-15)30(26,27)23-12-11-17(24)18(13-23)29-21(5,6)14-22-19(25)28-20(2,3)4/h7-10,18H,11-14H2,1-6H3,(H,22,25)