N-(2-cyano-4,5-diethoxy-phenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzamide

Systemtic Name: N-(2-cyano-4,5-diethoxy-phenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzamide Openeye Name: N-(2-cyano-4,5-diethoxy-phenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzamide CAS Name: N-(2-cyano-4,5-diethoxyphenyl)-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-4-methoxybenzamide IUPAC Name: N-(2-cyano-4,5-diethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxybenzamide Traditional Name: N-(2-cyano-4,5-diethoxy-phenyl)-3-[4-(4-fluorophenyl)piperazino]sulfonyl-4-methoxy-benzamide Formula: C29H31FN4O6S MolecularWeight: 582.643043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OCC

InChI

InChI=1S/C29H31FN4O6S/c1-4-39-26-16-21(19-31)24(18-27(26)40-5-2)32-29(35)20-6-11-25(38-3)28(17-20)41(36,37)34-14-12-33(13-15-34)23-9-7-22(30)8-10-23/h6-11,16-18H,4-5,12-15H2,1-3H3,(H,32,35)