2-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]butyl]-2-oxidanyl-piperazine-1-carboxylic acid

Systemtic Name: 2-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]butyl]-2-oxidanyl-piperazine-1-carboxylic acid Openeye Name: 2-hydroxy-2-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]butyl]piperazine-1-carboxylic acid CAS Name: 2-hydroxy-2-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]butyl]-1-piperazinecarboxylic acid IUPAC Name: 2-hydroxy-2-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]butyl]piperazine-1-carboxylic acid Traditional Name: 2-hydroxy-2-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]butyl]piperazine-1-carboxylic acid Formula: C17H23N3O4S MolecularWeight: 365.44722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)OCCCCC3(CNCCN3C(=O)O)O

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)OCCCCC3(CNCCN3C(=O)O)O

InChI

InChI=1S/C17H23N3O4S/c1-12-19-14-10-13(4-5-15(14)25-12)24-9-3-2-6-17(23)11-18-7-8-20(17)16(21)22/h4-5,10,18,23H,2-3,6-9,11H2,1H3,(H,21,22)