phenyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-benzimidazole-5-sulfonate

Systemtic Name: phenyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-benzimidazole-5-sulfonate Openeye Name: phenyl 2-(tert-butoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3H-benzimidazole-5-sulfonic acid phenyl ester IUPAC Name: phenyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-benzimidazole-5-sulfonate Traditional Name: 2-(tert-butoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid phenyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O5S/c1-18(2,3)25-17(22)21-16-19-14-10-9-13(11-15(14)20-16)27(23,24)26-12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,19,20,21,22)