N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(p-tolylmethylsulfanyl)acetamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[(4-methylphenyl)methylthio]acetamide IUPAC Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide Traditional Name: N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)-2-[(4-methylbenzyl)thio]acetamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S2/c1-16-5-7-17(8-6-16)14-28-15-21(24)22-19-13-18(9-10-20(19)27-2)29(25,26)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,22,24)