N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[4-(3-pyridinylmethylthio)phenyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C22H23N3O4S3 MolecularWeight: 489.63072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H23N3O4S3/c26-31(27,21-9-11-22(12-10-21)32(28,29)25-14-1-2-15-25)24-19-5-7-20(8-6-19)30-17-18-4-3-13-23-16-18/h3-13,16,24H,1-2,14-15,17H2