2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5S/c1-12(2,3)20-11(16)15-10-13-8-5-4-7(21(17,18)19)6-9(8)14-10/h4-6H,1-3H3,(H,17,18,19)(H2,13,14,15,16)