N-(2-ethylphenyl)-4-fluoranyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(2-ethylphenyl)-4-fluoranyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(2-ethylphenyl)-4-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(2-ethylphenyl)-4-fluoro-3-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(2-ethylphenyl)-4-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: N-(2-ethylphenyl)-4-fluoro-3-[4-(2-methoxyphenyl)piperazino]sulfonyl-benzamide Formula: C26H28FN3O4S MolecularWeight: 497.581623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H28FN3O4S/c1-3-19-8-4-5-9-22(19)28-26(31)20-12-13-21(27)25(18-20)35(32,33)30-16-14-29(15-17-30)23-10-6-7-11-24(23)34-2/h4-13,18H,3,14-17H2,1-2H3,(H,28,31)