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

Systemtic Name: N-(2-ethoxyphenyl)-4-fluoranyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(2-ethoxyphenyl)-4-fluoro-3-[3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(2-ethoxyphenyl)-4-fluoro-3-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(2-ethoxyphenyl)-4-fluoro-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: 4-fluoro-3-[3-methyl-4-(m-tolyl)piperazino]sulfonyl-N-o-phenetyl-benzamide Formula: C27H30FN3O4S MolecularWeight: 511.608203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(C(C3)C)C4=CC=CC(=C4)C

Isomeric SMILES

CCOC1=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/C27H30FN3O4S/c1-4-35-25-11-6-5-10-24(25)29-27(32)21-12-13-23(28)26(17-21)36(33,34)30-14-15-31(20(3)18-30)22-9-7-8-19(2)16-22/h5-13,16-17,20H,4,14-15,18H2,1-3H3,(H,29,32)