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

Systemtic Name: [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonate Openeye Name: [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonate CAS Name: 4-[2-(1-pyrrolidinyl)ethylamino]benzenesulfonic acid [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonate Traditional Name: 4-(2-pyrrolidinoethylamino)benzenesulfonic acid [2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O4S/c1-2-23-22(29)27-21-25-19-10-7-17(15-20(19)26-21)32-33(30,31)18-8-5-16(6-9-18)24-11-14-28-12-3-4-13-28/h5-10,15,24H,2-4,11-14H2,1H3,(H3,23,25,26,27,29)