2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-2-methyl-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-2-methyl-3-phenyl-propanoic acid Openeye Name: 2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-2-methyl-3-phenyl-propanoic acid CAS Name: 2-[[2-(hexylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-2-methyl-3-phenylpropanoic acid IUPAC Name: 2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-2-methyl-3-phenylpropanoic acid Traditional Name: 2-[[2-(hexylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-2-methyl-3-phenyl-propionic acid Formula: C23H28N2O4S3 MolecularWeight: 492.67442

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)(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C)(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H28N2O4S3/c1-3-4-5-9-14-30-22-24-19-13-12-18(15-20(19)31-22)32(28,29)25-23(2,21(26)27)16-17-10-7-6-8-11-17/h6-8,10-13,15,25H,3-5,9,14,16H2,1-2H3,(H,26,27)