N-[2-(phenylmethylsulfanyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(phenylmethylthio)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-pyrrolidinosulfonyl-benzamide 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)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S2/c23-20(21-12-15-26-16-17-6-2-1-3-7-17)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)