2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-16-8-9-17(2)18(12-16)14-27-15-21(24)22-19-6-5-7-20(13-19)28(25,26)23-10-3-4-11-23/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3,(H,22,24)