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

Systemtic Name: [2-(butylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-(butylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[[butylamino(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(butylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-(butylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O4S/c1-2-3-14-24-23(29)28-22-26-20-13-10-18(15-21(20)27-22)32-33(30,31)19-11-8-17(9-12-19)25-16-6-4-5-7-16/h8-13,15-16,25H,2-7,14H2,1H3,(H3,24,26,27,28,29)