[2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate

Systemtic Name: [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Openeye Name: [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(tetrahydrofuran-2-ylmethylamino)benzenesulfonate CAS Name: 4-(2-oxolanylmethylamino)benzenesulfonic acid [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(tetrahydrofurfurylamino)benzenesulfonic acid [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCC4CCCO4

Isomeric SMILES

CCNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCC4CCCO4

InChI

InChI=1S/C21H25N5O5S/c1-2-22-21(27)26-20-24-18-10-7-15(12-19(18)25-20)31-32(28,29)17-8-5-14(6-9-17)23-13-16-4-3-11-30-16/h5-10,12,16,23H,2-4,11,13H2,1H3,(H3,22,24,25,26,27)