N-(2,3-dimethylphenyl)-2-fluoranyl-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-fluoranyl-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzamide Openeye Name: 5-[(4-benzyl-1-piperidyl)sulfonyl]-N-(2,3-dimethylphenyl)-2-fluoro-benzamide CAS Name: N-(2,3-dimethylphenyl)-2-fluoro-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzamide IUPAC Name: 5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide Traditional Name: 5-(4-benzylpiperidino)sulfonyl-N-(2,3-dimethylphenyl)-2-fluoro-benzamide Formula: C27H29FN2O3S MolecularWeight: 480.594163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)F)C

InChI

InChI=1S/C27H29FN2O3S/c1-19-7-6-10-26(20(19)2)29-27(31)24-18-23(11-12-25(24)28)34(32,33)30-15-13-22(14-16-30)17-21-8-4-3-5-9-21/h3-12,18,22H,13-17H2,1-2H3,(H,29,31)