[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(2-methylpropylamino)benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(2-methylpropylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(isobutylamino)benzenesulfonate CAS Name: 4-(2-methylpropylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(2-methylpropylamino)benzenesulfonate Traditional Name: 4-(isobutylamino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

Isomeric SMILES

CC(C)CNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

InChI

InChI=1S/C21H24N4O4S/c1-13(2)12-22-15-5-8-17(9-6-15)30(27,28)29-16-7-10-18-19(11-16)24-21(23-18)25-20(26)14-3-4-14/h5-11,13-14,22H,3-4,12H2,1-2H3,(H2,23,24,25,26)