2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-pyrrolidinosulfonyl-pyridine Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C)C(C)(C)C

InChI

InChI=1S/C22H30N2O2S2/c1-16-12-18(22(3,4)5)13-17(2)20(16)15-27-21-9-8-19(14-23-21)28(25,26)24-10-6-7-11-24/h8-9,12-14H,6-7,10-11,15H2,1-5H3