(3S)-4-[4-(4-fluorophenyl)phenyl]sulfonyl-2,2-dimethyl-N-oxidanyl-1,4-thiazepane-3-carboxamide

Systemtic Name: (3S)-4-[4-(4-fluorophenyl)phenyl]sulfonyl-2,2-dimethyl-N-oxidanyl-1,4-thiazepane-3-carboxamide Openeye Name: (3S)-4-[4-(4-fluorophenyl)phenyl]sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carbohydroxamic acid CAS Name: (3S)-4-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-2,2-dimethyl-1,4-thiazepane-3-carboxamide IUPAC Name: (3S)-4-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-2,2-dimethyl-1,4-thiazepane-3-carboxamide Traditional Name: (3S)-4-[4-(4-fluorophenyl)phenyl]sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carbohydroxamic acid Formula: C20H23FN2O4S2 MolecularWeight: 438.536023

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F)C(=O)NO)C

Isomeric SMILES

CC1([C@@H](N(CCCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F)C(=O)NO)C

InChI

InChI=1S/C20H23FN2O4S2/c1-20(2)18(19(24)22-25)23(12-3-13-28-20)29(26,27)17-10-6-15(7-11-17)14-4-8-16(21)9-5-14/h4-11,18,25H,3,12-13H2,1-2H3,(H,22,24)/t18-/m0/s1