[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(propan-2-ylamino)ethylamino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(propan-2-ylamino)ethylamino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(isopropylamino)ethylamino]benzenesulfonate CAS Name: 4-[2-(propan-2-ylamino)ethylamino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(propan-2-ylamino)ethylamino]benzenesulfonate Traditional Name: 4-[2-(isopropylamino)ethylamino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C22H27N5O4S MolecularWeight: 457.54588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

Isomeric SMILES

CC(C)NCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

InChI

InChI=1S/C22H27N5O4S/c1-14(2)23-11-12-24-16-5-8-18(9-6-16)32(29,30)31-17-7-10-19-20(13-17)26-22(25-19)27-21(28)15-3-4-15/h5-10,13-15,23-24H,3-4,11-12H2,1-2H3,(H2,25,26,27,28)