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

Systemtic Name: [2-(dimethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-(dimethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[[dimethylamino(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(dimethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-(dimethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4S/c1-26(2)21(27)25-20-23-18-12-9-16(13-19(18)24-20)30-31(28,29)17-10-7-15(8-11-17)22-14-5-3-4-6-14/h7-14,22H,3-6H2,1-2H3,(H2,23,24,25,27)