[4-(2-chloranylethanoylcarbamoylamino)-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxidanyl-cyclohexyl]methyl-dimethyl-sulfanium

Systemtic Name: [4-(2-chloranylethanoylcarbamoylamino)-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxidanyl-cyclohexyl]methyl-dimethyl-sulfanium Openeye Name: [4-[(2-chloroacetyl)carbamoylamino]-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl-dimethyl-sulfonium CAS Name: [4-[[[(2-chloro-1-oxoethyl)amino]-oxomethyl]amino]-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]cyclohexyl]methyl-dimethylsulfonium IUPAC Name: [4-[(2-chloroacetyl)carbamoylamino]-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl-dimethylsulfanium Traditional Name: [4-[(2-chloroacetyl)carbamoylamino]-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl-dimethyl-sulfonium Formula: C21H36ClN2O5S+ MolecularWeight: 464.03894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+](C)C)O)NC(=O)NC(=O)CCl)OC)C

Isomeric SMILES

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+](C)C)O)NC(=O)NC(=O)CCl)OC)C

InChI

InChI=1S/C21H35ClN2O5S/c1-13(2)7-8-15-20(3,29-15)18-17(28-4)14(23-19(26)24-16(25)11-22)9-10-21(18,27)12-30(5)6/h7,14-15,17-18,27H,8-12H2,1-6H3,(H-,23,24,25,26)/p+1