N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(p-tolylsulfanyl)propanamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)-2-(p-tolylthio)propionamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S2/c1-15-6-8-17(9-7-15)28-16(2)21(24)22-19-14-18(10-11-20(19)27-3)29(25,26)23-12-4-5-13-23/h6-11,14,16H,4-5,12-13H2,1-3H3,(H,22,24)