N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)-3-(p-tolylthio)propionamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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