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

Systemtic Name: [2-(cyclopropylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-(cyclopropylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-(cyclopropylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NC5CC5

Isomeric SMILES

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NC5CC5

InChI

InChI=1S/C22H25N5O4S/c28-22(24-16-5-6-16)27-21-25-19-12-9-17(13-20(19)26-21)31-32(29,30)18-10-7-15(8-11-18)23-14-3-1-2-4-14/h7-14,16,23H,1-6H2,(H3,24,25,26,27,28)