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

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(1-oxidanylpropan-2-ylamino)benzenesulfonate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-[(2-hydroxy-1-methyl-ethyl)amino]benzenesulfonate CAS Name: 4-(1-hydroxypropan-2-ylamino)benzenesulfonic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(1-hydroxypropan-2-ylamino)benzenesulfonate Traditional Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]benzenesulfonic acid [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C20H25N5O6S MolecularWeight: 463.5074

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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)NCCOC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O6S/c1-13(12-26)22-14-3-6-16(7-4-14)32(28,29)31-15-5-8-17-18(11-15)24-19(23-17)25-20(27)21-9-10-30-2/h3-8,11,13,22,26H,9-10,12H2,1-2H3,(H3,21,23,24,25,27)