N-[2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-thiophen-2-yl-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-thiophen-2-yl-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-thienyl)ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-thienyl)ethyl]-3,4-dimethyl-benzamide Formula: C22H22FNO3S2 MolecularWeight: 431.543383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC(=C(C=C3)F)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC(=C(C=C3)F)C)C

InChI

InChI=1S/C22H22FNO3S2/c1-14-6-7-17(11-15(14)2)22(25)24-13-21(20-5-4-10-28-20)29(26,27)18-8-9-19(23)16(3)12-18/h4-12,21H,13H2,1-3H3,(H,24,25)