4-chloranyl-N-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: 4-chloro-N-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: 4-chloro-N-[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: 4-chloro-N-[4-hydroxy-3,5-bis(pyrrolidinomethyl)phenyl]benzenesulfonamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H28ClN3O3S/c23-19-5-7-21(8-6-19)30(28,29)24-20-13-17(15-25-9-1-2-10-25)22(27)18(14-20)16-26-11-3-4-12-26/h5-8,13-14,24,27H,1-4,9-12,15-16H2