[2-(propan-2-ylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4

Isomeric SMILES

CC(C)NC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4

InChI

InChI=1S/C22H27N5O4S/c1-14(2)23-22(28)27-21-25-19-12-9-17(13-20(19)26-21)31-32(29,30)18-10-7-16(8-11-18)24-15-5-3-4-6-15/h7-15,24H,3-6H2,1-2H3,(H3,23,25,26,27,28)