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

Systemtic Name: 3-(phenylmethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-(phenylmethylthio)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-benzylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(benzylthio)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S2/c23-20(12-15-26-16-17-6-2-1-3-7-17)21-18-8-10-19(11-9-18)27(24,25)22-13-4-5-14-22/h1-3,6-11H,4-5,12-16H2,(H,21,23)