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

Systemtic Name: N-(4-ethylphenyl)-4-fluoranyl-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(4-ethylphenyl)-4-fluoro-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(4-ethylphenyl)-4-fluoro-3-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(4-ethylphenyl)-4-fluoro-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: N-(4-ethylphenyl)-4-fluoro-3-[4-(4-nitrophenyl)piperazino]sulfonyl-benzamide Formula: C25H25FN4O5S MolecularWeight: 512.553203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25FN4O5S/c1-2-18-3-6-20(7-4-18)27-25(31)19-5-12-23(26)24(17-19)36(34,35)29-15-13-28(14-16-29)21-8-10-22(11-9-21)30(32)33/h3-12,17H,2,13-16H2,1H3,(H,27,31)