2-methyl-1-(2-methyl-2-nitrososulfanyl-propyl)-5-(4-methylsulfonylphenyl)pyrrole

Systemtic Name: 2-methyl-1-(2-methyl-2-nitrososulfanyl-propyl)-5-(4-methylsulfonylphenyl)pyrrole Openeye Name: 2-methyl-1-(2-methyl-2-nitrososulfanyl-propyl)-5-(4-methylsulfonylphenyl)pyrrole CAS Name: 2-methyl-1-[2-methyl-5-(4-methylsulfonylphenyl)-1-pyrrolyl]-N-oxo-2-propanesulfenamide IUPAC Name: 2-methyl-1-(2-methyl-2-nitrososulfanylpropyl)-5-(4-methylsulfonylphenyl)pyrrole Traditional Name: 2-(4-mesylphenyl)-5-methyl-1-[2-methyl-2-(nitrosothio)propyl]pyrrole Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC(C)(C)SN=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(N1CC(C)(C)SN=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H20N2O3S2/c1-12-5-10-15(18(12)11-16(2,3)22-17-19)13-6-8-14(9-7-13)23(4,20)21/h5-10H,11H2,1-4H3