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

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)-4-fluoranyl-benzamide Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)-4-fluoro-benzamide CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-N-(4-ethylphenyl)-4-fluorobenzamide IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)-4-fluorobenzamide Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazino]sulfonyl-N-(4-ethylphenyl)-4-fluoro-benzamide Formula: C27H30FN3O3S MolecularWeight: 495.608803

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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=CC(=C4C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C27H30FN3O3S/c1-4-21-8-11-23(12-9-21)29-27(32)22-10-13-24(28)26(18-22)35(33,34)31-16-14-30(15-17-31)25-7-5-6-19(2)20(25)3/h5-13,18H,4,14-17H2,1-3H3,(H,29,32)