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

Systemtic Name: N-(4-ethylphenyl)-4-fluoranyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-ethylphenyl)-4-fluoro-benzamide CAS Name: N-(4-ethylphenyl)-4-fluoro-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-ethylphenyl)-4-fluorobenzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-(4-ethylphenyl)-4-fluoro-benzamide Formula: C26H28FN3O3S MolecularWeight: 481.582223

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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)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28FN3O3S/c1-2-20-8-11-23(12-9-20)28-26(31)22-10-13-24(27)25(18-22)34(32,33)30-16-14-29(15-17-30)19-21-6-4-3-5-7-21/h3-13,18H,2,14-17,19H2,1H3,(H,28,31)