N-[2-(phenylmethylsulfanyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(2-benzylsulfanylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[2-(phenylmethylthio)ethyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[2-(benzylthio)ethyl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S2/c25-22(23-14-17-28-18-20-6-2-1-3-7-20)13-10-19-8-11-21(12-9-19)29(26,27)24-15-4-5-16-24/h1-3,6-9,11-12H,4-5,10,13-18H2,(H,23,25)