(2R)-1-[4-[4-(2-dimethylaminoethyl)phenoxy]phenyl]sulfonyl-N-oxidanyl-azepane-2-carboxamide

Systemtic Name: (2R)-1-[4-[4-(2-dimethylaminoethyl)phenoxy]phenyl]sulfonyl-N-oxidanyl-azepane-2-carboxamide Openeye Name: (2R)-1-[4-[4-(2-dimethylaminoethyl)phenoxy]phenyl]sulfonylazepane-2-carbohydroxamic acid CAS Name: (2R)-1-[4-[4-(2-dimethylaminoethyl)phenoxy]phenyl]sulfonyl-N-hydroxy-2-azepanecarboxamide IUPAC Name: (2R)-1-[4-[4-(2-dimethylaminoethyl)phenoxy]phenyl]sulfonyl-N-hydroxyazepane-2-carboxamide Traditional Name: (2R)-1-[4-[4-(2-dimethylaminoethyl)phenoxy]phenyl]sulfonylazepane-2-carbohydroxamic acid Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3C(=O)NO

Isomeric SMILES

CN(C)CCC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)N3CCCCC[C@@H]3C(=O)NO

InChI

InChI=1S/C23H31N3O5S/c1-25(2)17-15-18-7-9-19(10-8-18)31-20-11-13-21(14-12-20)32(29,30)26-16-5-3-4-6-22(26)23(27)24-28/h7-14,22,28H,3-6,15-17H2,1-2H3,(H,24,27)/t22-/m1/s1