[2-(3-oxidanylpropylcarbamoylamino)-3H-benzimidazol-5-yl] 4-[(2-methyl-2-oxidanyl-propyl)amino]benzenesulfonate

Systemtic Name: [2-(3-oxidanylpropylcarbamoylamino)-3H-benzimidazol-5-yl] 4-[(2-methyl-2-oxidanyl-propyl)amino]benzenesulfonate Openeye Name: [2-(3-hydroxypropylcarbamoylamino)-3H-benzimidazol-5-yl] 4-[(2-hydroxy-2-methyl-propyl)amino]benzenesulfonate CAS Name: 4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonic acid [2-[[(3-hydroxypropylamino)-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(3-hydroxypropylcarbamoylamino)-3H-benzimidazol-5-yl] 4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonate Traditional Name: 4-[(2-hydroxy-2-methyl-propyl)amino]benzenesulfonic acid [2-(3-hydroxypropylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C21H27N5O6S MolecularWeight: 477.53398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)NCCCO)O

Isomeric SMILES

CC(C)(CNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)NCCCO)O

InChI

InChI=1S/C21H27N5O6S/c1-21(2,29)13-23-14-4-7-16(8-5-14)33(30,31)32-15-6-9-17-18(12-15)25-19(24-17)26-20(28)22-10-3-11-27/h4-9,12,23,27,29H,3,10-11,13H2,1-2H3,(H3,22,24,25,26,28)