N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-yl-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-yl-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-(4-fluorophenyl)sulfonyl-2-(3-pyridyl)ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-(4-fluorophenyl)sulfonyl-2-(3-pyridinyl)ethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-(4-fluorophenyl)sulfonyl-2-(3-pyridyl)ethyl]-3,4-dimethyl-benzamide Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O3S/c1-15-5-6-17(12-16(15)2)22(26)25-14-21(18-4-3-11-24-13-18)29(27,28)20-9-7-19(23)8-10-20/h3-13,21H,14H2,1-2H3,(H,25,26)