N-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: 4-(2-fluorophenyl)sulfonyl-N-piperonyl-piperazine-1-carboxamide Formula: C19H20FN3O5S MolecularWeight: 421.442603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C19H20FN3O5S/c20-15-3-1-2-4-18(15)29(25,26)23-9-7-22(8-10-23)19(24)21-12-14-5-6-16-17(11-14)28-13-27-16/h1-6,11H,7-10,12-13H2,(H,21,24)