2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-N-oxidanyl-butanamide

Systemtic Name: 2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-N-oxidanyl-butanamide Openeye Name: 2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-butanehydroxamic acid CAS Name: 2-[[2-(hexylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide IUPAC Name: 2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide Traditional Name: 2-[[2-(hexylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butanehydroxamic acid Formula: C18H27N3O4S3 MolecularWeight: 445.61968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NO

Isomeric SMILES

CCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NO

InChI

InChI=1S/C18H27N3O4S3/c1-4-5-6-7-10-26-18-19-14-9-8-13(11-15(14)27-18)28(24,25)21-16(12(2)3)17(22)20-23/h8-9,11-12,16,21,23H,4-7,10H2,1-3H3,(H,20,22)