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

Systemtic Name: [2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Openeye Name: [2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3H-benzimidazol-5-yl] 4-(tetrahydrofuran-2-ylmethylamino)benzenesulfonate CAS Name: 4-(2-oxolanylmethylamino)benzenesulfonic acid [2-[[[(1-ethyl-2-pyrrolidinyl)methylamino]-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(tetrahydrofurfurylamino)benzenesulfonic acid [2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3H-benzimidazol-5-yl] ester Formula: C26H34N6O5S MolecularWeight: 542.65036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5CCCO5

Isomeric SMILES

CCN1CCCC1CNC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5CCCO5

InChI

InChI=1S/C26H34N6O5S/c1-2-32-13-3-5-19(32)16-28-26(33)31-25-29-23-12-9-20(15-24(23)30-25)37-38(34,35)22-10-7-18(8-11-22)27-17-21-6-4-14-36-21/h7-12,15,19,21,27H,2-6,13-14,16-17H2,1H3,(H3,28,29,30,31,33)