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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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