N-[4-[(2S)-butan-2-yl]phenyl]-2-fluoranyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-fluoranyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-fluoro-N-[4-[(1S)-1-methylpropyl]phenyl]-5-morpholinosulfonyl-benzamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-fluoro-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-fluoro-N-[4-[(1S)-1-methylpropyl]phenyl]-5-morpholinosulfonyl-benzamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C21H25FN2O4S/c1-3-15(2)16-4-6-17(7-5-16)23-21(25)19-14-18(8-9-20(19)22)29(26,27)24-10-12-28-13-11-24/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25)/t15-/m0/s1