[2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(1-oxidanylpropan-2-ylamino)benzenesulfonate

Systemtic Name: [2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(1-oxidanylpropan-2-ylamino)benzenesulfonate Openeye Name: [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-[(2-hydroxy-1-methyl-ethyl)amino]benzenesulfonate CAS Name: 4-(1-hydroxypropan-2-ylamino)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-(1-hydroxypropan-2-ylamino)benzenesulfonate Traditional Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]benzenesulfonic acid [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C23H30N6O6S MolecularWeight: 518.5859

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)NCCN4CCOCC4

Isomeric SMILES

CC(CO)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)NCCN4CCOCC4

InChI

InChI=1S/C23H30N6O6S/c1-16(15-30)25-17-2-5-19(6-3-17)36(32,33)35-18-4-7-20-21(14-18)27-22(26-20)28-23(31)24-8-9-29-10-12-34-13-11-29/h2-7,14,16,25,30H,8-13,15H2,1H3,(H3,24,26,27,28,31)