4-methylsulfonyl-3-nitro-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]benzamide

Systemtic Name: 4-methylsulfonyl-3-nitro-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]benzamide Openeye Name: 4-methylsulfonyl-3-nitro-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]benzamide CAS Name: 4-methylsulfonyl-3-nitro-N-[3-[3-(1-pyrrolidinylmethyl)phenoxy]propyl]benzamide IUPAC Name: 4-methylsulfonyl-3-nitro-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]benzamide Traditional Name: 4-mesyl-3-nitro-N-[3-[3-(pyrrolidinomethyl)phenoxy]propyl]benzamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCCCOC2=CC=CC(=C2)CN3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCCCOC2=CC=CC(=C2)CN3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-32(29,30)21-9-8-18(15-20(21)25(27)28)22(26)23-10-5-13-31-19-7-4-6-17(14-19)16-24-11-2-3-12-24/h4,6-9,14-15H,2-3,5,10-13,16H2,1H3,(H,23,26)