3-cyclohexyl-1-[2-(hydroxymethyl)-4-methyl-phenyl]-4-sulfonyl-pyrrolidine-2,5-dione

Systemtic Name: 3-cyclohexyl-1-[2-(hydroxymethyl)-4-methyl-phenyl]-4-sulfonyl-pyrrolidine-2,5-dione Openeye Name: 3-cyclohexyl-1-[2-(hydroxymethyl)-4-methyl-phenyl]-4-sulfonyl-pyrrolidine-2,5-dione CAS Name: 3-cyclohexyl-1-[2-(hydroxymethyl)-4-methylphenyl]-4-sulfonylpyrrolidine-2,5-dione IUPAC Name: 3-cyclohexyl-1-[2-(hydroxymethyl)-4-methylphenyl]-4-sulfonylpyrrolidine-2,5-dione Traditional Name: 3-cyclohexyl-1-(4-methyl-2-methylol-phenyl)-4-sulfonyl-pyrrolidine-2,5-quinone Formula: C18H21NO5S MolecularWeight: 363.42804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(C(=S(=O)=O)C2=O)C3CCCCC3)CO

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C(C(=S(=O)=O)C2=O)C3CCCCC3)CO

InChI

InChI=1S/C18H21NO5S/c1-11-7-8-14(13(9-11)10-20)19-17(21)15(12-5-3-2-4-6-12)16(18(19)22)25(23)24/h7-9,12,15,20H,2-6,10H2,1H3