tert-butyl N-[(E,3S)-1-methylsulfonyl-6-oxidanylidene-6-[(triphenylmethyl)amino]hex-1-en-3-yl]carbamate

Systemtic Name: tert-butyl N-[(E,3S)-1-methylsulfonyl-6-oxidanylidene-6-[(triphenylmethyl)amino]hex-1-en-3-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(E)-2-methylsulfonylvinyl]-4-oxo-4-(tritylamino)butyl]carbamate CAS Name: N-[(E,3S)-1-methylsulfonyl-6-oxo-6-[(triphenylmethyl)amino]hex-1-en-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,3S)-1-methylsulfonyl-6-oxo-6-(tritylamino)hex-1-en-3-yl]carbamate Traditional Name: N-[(E,1S)-1-[3-keto-3-(tritylamino)propyl]-3-mesyl-allyl]carbamic acid tert-butyl ester Formula: C31H36N2O5S MolecularWeight: 548.69294

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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)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C=C/S(=O)(=O)C

InChI

InChI=1S/C31H36N2O5S/c1-30(2,3)38-29(35)32-27(22-23-39(4,36)37)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+/t27-/m0/s1