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

Systemtic Name: [2-(2-pyrrolidin-1-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Openeye Name: [2-(2-pyrrolidin-1-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(tetrahydrofuran-2-ylmethylamino)benzenesulfonate CAS Name: 4-(2-oxolanylmethylamino)benzenesulfonic acid [2-[[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-pyrrolidin-1-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(tetrahydrofurfurylamino)benzenesulfonic acid [2-(2-pyrrolidinoethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C25H32N6O5S MolecularWeight: 528.62378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O5S/c32-25(26-11-14-31-12-1-2-13-31)30-24-28-22-10-7-19(16-23(22)29-24)36-37(33,34)21-8-5-18(6-9-21)27-17-20-4-3-15-35-20/h5-10,16,20,27H,1-4,11-15,17H2,(H3,26,28,29,30,32)