3-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-(phenylthio)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(phenylthio)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3S2/c22-19(12-15-25-17-6-2-1-3-7-17)20-16-8-10-18(11-9-16)26(23,24)21-13-4-5-14-21/h1-3,6-11H,4-5,12-15H2,(H,20,22)