tert-butyl N-[(E,2S)-7-(4-methylphenyl)sulfonyl-5-oxidanylidene-1-phenyl-hept-3-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(E,2S)-7-(4-methylphenyl)sulfonyl-5-oxidanylidene-1-phenyl-hept-3-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E,1S)-1-benzyl-4-oxo-6-(p-tolylsulfonyl)hex-2-enyl]carbamate CAS Name: N-[(E,2S)-7-(4-methylphenyl)sulfonyl-5-oxo-1-phenylhept-3-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,2S)-7-(4-methylphenyl)sulfonyl-5-oxo-1-phenylhept-3-en-2-yl]carbamate Traditional Name: N-[(E,1S)-1-benzyl-4-keto-6-tosyl-hex-2-enyl]carbamic acid tert-butyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C=CC(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)/C=C/[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H31NO5S/c1-19-10-14-23(15-11-19)32(29,30)17-16-22(27)13-12-21(18-20-8-6-5-7-9-20)26-24(28)31-25(2,3)4/h5-15,21H,16-18H2,1-4H3,(H,26,28)/b13-12+/t21-/m1/s1