2-[6-chloranyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzimidazol-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[6-chloranyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzimidazol-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-[2-(tert-butoxycarbonylamino)ethyl]-6-chloro-benzimidazol-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[6-chloro-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-1-benzimidazolyl]ethyl ester IUPAC Name: 2-[6-chloro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzimidazol-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-[2-(tert-butoxycarbonylamino)ethyl]-6-chloro-benzimidazol-1-yl]ethyl ester Formula: C23H28ClN3O5S MolecularWeight: 494.00352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C3=C(C=CC(=C3)Cl)N=C2CCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C3=C(C=CC(=C3)Cl)N=C2CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C23H28ClN3O5S/c1-16-5-8-18(9-6-16)33(29,30)31-14-13-27-20-15-17(24)7-10-19(20)26-21(27)11-12-25-22(28)32-23(2,3)4/h5-10,15H,11-14H2,1-4H3,(H,25,28)