[2-(3-pyrrolidin-1-ylpropylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate

Systemtic Name: [2-(3-pyrrolidin-1-ylpropylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Openeye Name: [2-(3-pyrrolidin-1-ylpropylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(tetrahydrofuran-2-ylmethylamino)benzenesulfonate CAS Name: 4-(2-oxolanylmethylamino)benzenesulfonic acid [2-[[oxo-[3-(1-pyrrolidinyl)propylamino]methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(3-pyrrolidin-1-ylpropylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(tetrahydrofurfurylamino)benzenesulfonic acid [2-(3-pyrrolidinopropylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C26H34N6O5S MolecularWeight: 542.65036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5CCCO5

Isomeric SMILES

C1CCN(C1)CCCNC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5CCCO5

InChI

InChI=1S/C26H34N6O5S/c33-26(27-12-4-15-32-13-1-2-14-32)31-25-29-23-11-8-20(17-24(23)30-25)37-38(34,35)22-9-6-19(7-10-22)28-18-21-5-3-16-36-21/h6-11,17,21,28H,1-5,12-16,18H2,(H3,27,29,30,31,33)