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

Systemtic Name: [2-(methylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Openeye Name: [2-(methylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(tetrahydrofuran-2-ylmethylamino)benzenesulfonate CAS Name: 4-(2-oxolanylmethylamino)benzenesulfonic acid [2-(methylcarbamoylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(tetrahydrofurfurylamino)benzenesulfonic acid [2-(methylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O5S/c1-21-20(26)25-19-23-17-9-6-14(11-18(17)24-19)30-31(27,28)16-7-4-13(5-8-16)22-12-15-3-2-10-29-15/h4-9,11,15,22H,2-3,10,12H2,1H3,(H3,21,23,24,25,26)