N-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[4-(methylthio)phenyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[4-(methylthio)phenyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C17H20N2O4S3 MolecularWeight: 412.5467

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H20N2O4S3/c1-24-15-6-4-14(5-7-15)18-25(20,21)16-8-10-17(11-9-16)26(22,23)19-12-2-3-13-19/h4-11,18H,2-3,12-13H2,1H3