N-[2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-thiophen-2-yl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-thiophen-2-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-thienyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-thienyl)ethyl]-piperonylamide Formula: C21H18FNO5S2 MolecularWeight: 447.499723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CS4)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CS4)F

InChI

InChI=1S/C21H18FNO5S2/c1-13-9-15(5-6-16(13)22)30(25,26)20(19-3-2-8-29-19)11-23-21(24)14-4-7-17-18(10-14)28-12-27-17/h2-10,20H,11-12H2,1H3,(H,23,24)