5-[(1,2-dimethylimidazol-4-yl)sulfonyl-(phenylmethyl)amino]-2-fluoranyl-N-propan-2-yl-benzamide

Systemtic Name: 5-[(1,2-dimethylimidazol-4-yl)sulfonyl-(phenylmethyl)amino]-2-fluoranyl-N-propan-2-yl-benzamide Openeye Name: 5-[benzyl-(1,2-dimethylimidazol-4-yl)sulfonyl-amino]-2-fluoro-N-isopropyl-benzamide CAS Name: 5-[(1,2-dimethyl-4-imidazolyl)sulfonyl-(phenylmethyl)amino]-2-fluoro-N-propan-2-ylbenzamide IUPAC Name: 5-[benzyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide Traditional Name: 5-[benzyl-(1,2-dimethylimidazol-4-yl)sulfonyl-amino]-2-fluoro-N-isopropyl-benzamide Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1C)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC(=C(C=C3)F)C(=O)NC(C)C

Isomeric SMILES

CC1=NC(=CN1C)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC(=C(C=C3)F)C(=O)NC(C)C

InChI

InChI=1S/C22H25FN4O3S/c1-15(2)24-22(28)19-12-18(10-11-20(19)23)27(13-17-8-6-5-7-9-17)31(29,30)21-14-26(4)16(3)25-21/h5-12,14-15H,13H2,1-4H3,(H,24,28)