[2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopropylmethylamino)benzenesulfonate

Systemtic Name: [2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopropylmethylamino)benzenesulfonate Openeye Name: [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopropylmethylamino)benzenesulfonate CAS Name: 4-(cyclopropylmethylamino)benzenesulfonic acid [2-[[[2-(4-morpholinyl)ethylamino]-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(cyclopropylmethylamino)benzenesulfonate Traditional Name: 4-(cyclopropylmethylamino)benzenesulfonic acid [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C24H30N6O5S MolecularWeight: 514.5972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCCN5CCOCC5

Isomeric SMILES

C1CC1CNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCCN5CCOCC5

InChI

InChI=1S/C24H30N6O5S/c31-24(25-9-10-30-11-13-34-14-12-30)29-23-27-21-8-5-19(15-22(21)28-23)35-36(32,33)20-6-3-18(4-7-20)26-16-17-1-2-17/h3-8,15,17,26H,1-2,9-14,16H2,(H3,25,27,28,29,31)