N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)sulfonylamino]-4-methyl-pentanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)sulfonylamino]-4-methyl-pentanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)sulfonylamino]-4-methyl-pentanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)sulfonylamino]-4-methylpentanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)sulfonylamino]-4-methylpentanamide Traditional Name: 3-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-piperonyl-valeramide Formula: C20H23FN2O5S MolecularWeight: 422.470423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(CC(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O5S/c1-13(2)17(23-29(25,26)16-6-4-15(21)5-7-16)10-20(24)22-11-14-3-8-18-19(9-14)28-12-27-18/h3-9,13,17,23H,10-12H2,1-2H3,(H,22,24)