1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-(4-fluorobenzyl)-6-keto-4-mesyl-2-methyl-1-piperonyl-piperazine-2-carboxamide Formula: C22H24FN3O6S MolecularWeight: 477.505863

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC1(CN(CC(=O)N1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3O6S/c1-22(21(28)24-10-15-3-6-17(23)7-4-15)13-25(33(2,29)30)12-20(27)26(22)11-16-5-8-18-19(9-16)32-14-31-18/h3-9H,10-14H2,1-2H3,(H,24,28)