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

Systemtic Name: N-(2-ethylphenyl)-4-fluoranyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(2-ethylphenyl)-4-fluoro-3-[3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(2-ethylphenyl)-4-fluoro-3-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(2-ethylphenyl)-4-fluoro-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: N-(2-ethylphenyl)-4-fluoro-3-[3-methyl-4-(m-tolyl)piperazino]sulfonyl-benzamide Formula: C27H30FN3O3S MolecularWeight: 495.608803

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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(C(C3)C)C4=CC=CC(=C4)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(C(C3)C)C4=CC=CC(=C4)C

InChI

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