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

Systemtic Name: 4-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl]benzenesulfonic acid Openeye Name: 3-[2-(tert-butoxycarbonylamino)but-3-enyl]-4-methyl-benzenesulfonic acid CAS Name: 4-methyl-3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]but-3-enyl]benzenesulfonic acid IUPAC Name: 4-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl]benzenesulfonic acid Traditional Name: 3-[2-(tert-butoxycarbonylamino)but-3-enyl]-4-methyl-besylic acid Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5S/c1-6-13(17-15(18)22-16(3,4)5)9-12-10-14(23(19,20)21)8-7-11(12)2/h6-8,10,13H,1,9H2,2-5H3,(H,17,18)(H,19,20,21)