N-(6-cyano-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzamide

Systemtic Name: N-(6-cyano-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzamide Openeye Name: N-(6-cyano-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzamide CAS Name: N-(6-cyano-1,3-benzodioxol-5-yl)-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-4-methoxybenzamide IUPAC Name: N-(6-cyano-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxybenzamide Traditional Name: N-(6-cyano-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazino]sulfonyl-4-methoxy-benzamide Formula: C26H23FN4O6S MolecularWeight: 538.547423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2C#N)OCO3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2C#N)OCO3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H23FN4O6S/c1-35-22-7-2-17(26(32)29-21-14-24-23(36-16-37-24)12-18(21)15-28)13-25(22)38(33,34)31-10-8-30(9-11-31)20-5-3-19(27)4-6-20/h2-7,12-14H,8-11,16H2,1H3,(H,29,32)