N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-yl-ethyl]-4-methoxy-3-methyl-benzenesulfonamide

Systemtic Name: N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-yl-ethyl]-4-methoxy-3-methyl-benzenesulfonamide Openeye Name: N-[2-(4-fluorophenyl)sulfonyl-2-(3-pyridyl)ethyl]-4-methoxy-3-methyl-benzenesulfonamide CAS Name: N-[2-(4-fluorophenyl)sulfonyl-2-(3-pyridinyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide IUPAC Name: N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxy-3-methylbenzenesulfonamide Traditional Name: N-[2-(4-fluorophenyl)sulfonyl-2-(3-pyridyl)ethyl]-4-methoxy-3-methyl-benzenesulfonamide Formula: C21H21FN2O5S2 MolecularWeight: 464.530243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O5S2/c1-15-12-19(9-10-20(15)29-2)31(27,28)24-14-21(16-4-3-11-23-13-16)30(25,26)18-7-5-17(22)6-8-18/h3-13,21,24H,14H2,1-2H3