4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzenesulfonic acid

Systemtic Name: 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzenesulfonic acid Openeye Name: 3-(tert-butoxycarbonylamino)-4-methyl-benzenesulfonic acid CAS Name: 4-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzenesulfonic acid Traditional Name: 3-(tert-butoxycarbonylamino)-4-methyl-besylic acid Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C12H17NO5S/c1-8-5-6-9(19(15,16)17)7-10(8)13-11(14)18-12(2,3)4/h5-7H,1-4H3,(H,13,14)(H,15,16,17)