2-[(3-fluoranyl-4-methyl-phenyl)amino]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[(3-fluoranyl-4-methyl-phenyl)amino]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-(3-fluoro-4-methyl-anilino)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: 2-(3-fluoro-4-methylanilino)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-(3-fluoro-4-methylanilino)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-(3-fluoro-4-methyl-anilino)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C21H18FN3O4S MolecularWeight: 427.448723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)F

InChI

InChI=1S/C21H18FN3O4S/c1-13-3-4-15(11-18(13)22)23-21-24-19-12-17(9-10-20(19)29-21)30(26,27)25-14-5-7-16(28-2)8-6-14/h3-12,25H,1-2H3,(H,23,24)