tert-butyl 4-[(2-methyl-1,3-benzothiazol-5-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-methyl-1,3-benzothiazol-5-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2-methyl-1,3-benzothiazol-5-yl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[(2-methyl-1,3-benzothiazol-5-yl)sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-methyl-1,3-benzothiazol-5-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[(2-methyl-1,3-benzothiazol-5-yl)sulfonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H23N3O4S2 MolecularWeight: 397.51222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H23N3O4S2/c1-12-18-14-11-13(5-6-15(14)25-12)26(22,23)20-9-7-19(8-10-20)16(21)24-17(2,3)4/h5-6,11H,7-10H2,1-4H3