1-(phenylsulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[4-(3-pyridinylmethylthio)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-[4-(3-pyridylmethylthio)phenyl]pyrrolidine-2-carboxamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H23N3O3S2/c27-23(22-9-5-15-26(22)31(28,29)21-7-2-1-3-8-21)25-19-10-12-20(13-11-19)30-17-18-6-4-14-24-16-18/h1-4,6-8,10-14,16,22H,5,9,15,17H2,(H,25,27)