[4-[[3-(2-cyanopropan-2-yl)-5-methyl-phenyl]methylsulfanyl]phenyl] sulfamate

Systemtic Name: [4-[[3-(2-cyanopropan-2-yl)-5-methyl-phenyl]methylsulfanyl]phenyl] sulfamate Openeye Name: [4-[[3-(1-cyano-1-methyl-ethyl)-5-methyl-phenyl]methylsulfanyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[[3-(2-cyanopropan-2-yl)-5-methylphenyl]methylthio]phenyl] ester IUPAC Name: [4-[[3-(2-cyanopropan-2-yl)-5-methylphenyl]methylsulfanyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[[3-(1-cyano-1-methyl-ethyl)-5-methyl-benzyl]thio]phenyl] ester Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C)(C)C#N)CSC2=CC=C(C=C2)OS(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1)C(C)(C)C#N)CSC2=CC=C(C=C2)OS(=O)(=O)N

InChI

InChI=1S/C18H20N2O3S2/c1-13-8-14(10-15(9-13)18(2,3)12-19)11-24-17-6-4-16(5-7-17)23-25(20,21)22/h4-10H,11H2,1-3H3,(H2,20,21,22)