[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[(2-methyl-1-oxidanyl-propan-2-yl)amino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[(2-methyl-1-oxidanyl-propan-2-yl)amino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(2-hydroxy-1,1-dimethyl-ethyl)amino]benzenesulfonate CAS Name: 4-[(1-hydroxy-2-methylpropan-2-yl)amino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(1-hydroxy-2-methylpropan-2-yl)amino]benzenesulfonate Traditional Name: 4-[(2-hydroxy-1,1-dimethyl-ethyl)amino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

Isomeric SMILES

CC(C)(CO)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

InChI

InChI=1S/C21H24N4O5S/c1-21(2,12-26)25-14-5-8-16(9-6-14)31(28,29)30-15-7-10-17-18(11-15)23-20(22-17)24-19(27)13-3-4-13/h5-11,13,25-26H,3-4,12H2,1-2H3,(H2,22,23,24,27)