methyl (E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-[(triphenylmethyl)amino]hex-1-ene-1-sulfonate

Systemtic Name: methyl (E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-[(triphenylmethyl)amino]hex-1-ene-1-sulfonate Openeye Name: methyl (E)-3-(tert-butoxycarbonylamino)-6-oxo-6-(tritylamino)hex-1-ene-1-sulfonate CAS Name: (E)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxo-6-[(triphenylmethyl)amino]-1-hexene-1-sulfonic acid methyl ester IUPAC Name: methyl (E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(tritylamino)hex-1-ene-1-sulfonate Traditional Name: (E)-3-(tert-butoxycarbonylamino)-6-keto-6-(tritylamino)hex-1-ene-1-sulfonic acid methyl ester Formula: C31H36N2O6S MolecularWeight: 564.69234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C=CS(=O)(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C=C/S(=O)(=O)OC

InChI

InChI=1S/C31H36N2O6S/c1-30(2,3)39-29(35)32-27(22-23-40(36,37)38-4)20-21-28(34)33-31(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,22-23,27H,20-21H2,1-4H3,(H,32,35)(H,33,34)/b23-22+