N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-fluoranyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-fluoranyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-fluoro-5-morpholinosulfonyl-benzamide CAS Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-fluoro-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-fluoro-5-morpholinosulfonyl-benzamide Formula: C19H27FN2O4S MolecularWeight: 398.492083

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C19H27FN2O4S/c1-13-4-3-5-18(14(13)2)21-19(23)16-12-15(6-7-17(16)20)27(24,25)22-8-10-26-11-9-22/h6-7,12-14,18H,3-5,8-11H2,1-2H3,(H,21,23)/t13-,14-,18-/m1/s1