N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(benzylthio)-N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C19H21ClN2O3S2 MolecularWeight: 424.96464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C19H21ClN2O3S2/c20-17-9-8-16(27(24,25)22-10-4-5-11-22)12-18(17)21-19(23)14-26-13-15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13-14H2,(H,21,23)