[2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonate

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonate CAS Name: 4-[2-(1-pyrrolidinyl)ethylamino]benzenesulfonic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonate Traditional Name: 4-(2-pyrrolidinoethylamino)benzenesulfonic acid [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C23H30N6O5S MolecularWeight: 502.5865

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCCN4CCCC4

Isomeric SMILES

COCCNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCCN4CCCC4

InChI

InChI=1S/C23H30N6O5S/c1-33-15-11-25-23(30)28-22-26-20-9-6-18(16-21(20)27-22)34-35(31,32)19-7-4-17(5-8-19)24-10-14-29-12-2-3-13-29/h4-9,16,24H,2-3,10-15H2,1H3,(H3,25,26,27,28,30)