4-fluoranyl-N-[4-[[5-(2-methylphenyl)carbonyl-1,3-thiazol-2-yl]amino]butyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[4-[[5-(2-methylphenyl)carbonyl-1,3-thiazol-2-yl]amino]butyl]benzenesulfonamide Openeye Name: 4-fluoro-N-[4-[[5-(2-methylbenzoyl)thiazol-2-yl]amino]butyl]benzenesulfonamide CAS Name: 4-fluoro-N-[4-[[5-[(2-methylphenyl)-oxomethyl]-2-thiazolyl]amino]butyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[4-[(5-o-toluoylthiazol-2-yl)amino]butyl]benzenesulfonamide Formula: C21H22FN3O3S2 MolecularWeight: 447.546083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CN=C(S2)NCCCCNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CN=C(S2)NCCCCNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O3S2/c1-15-6-2-3-7-18(15)20(26)19-14-24-21(29-19)23-12-4-5-13-25-30(27,28)17-10-8-16(22)9-11-17/h2-3,6-11,14,25H,4-5,12-13H2,1H3,(H,23,24)