2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC)C

InChI

InChI=1S/C22H28N2O4S2/c1-16-10-17(2)12-18(11-16)14-29-15-22(25)23-20-13-19(6-7-21(20)28-3)30(26,27)24-8-4-5-9-24/h6-7,10-13H,4-5,8-9,14-15H2,1-3H3,(H,23,25)