[1-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-ethyl-butyl] methanesulfonate

Systemtic Name: [1-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-ethyl-butyl] methanesulfonate Openeye Name: [1-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-ethyl-butyl] methanesulfonate CAS Name: methanesulfonic acid [1-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-ethylbutyl] ester IUPAC Name: [1-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-ethylbutyl] methanesulfonate Traditional Name: methanesulfonic acid [1-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-ethyl-butyl] ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)OS(=O)(=O)C

Isomeric SMILES

CCC(CC)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)OS(=O)(=O)C

InChI

InChI=1S/C20H24N2O3S2/c1-4-14(5-2)19(25-27(3,23)24)15-10-12-16(13-11-15)21-20-22-17-8-6-7-9-18(17)26-20/h6-14,19H,4-5H2,1-3H3,(H,21,22)