tert-butyl N-[(E)-6-(4-methylphenyl)sulfonyl-4-oxidanylidene-hex-2-enyl]-N-(phenylmethyl)carbamate

Systemtic Name: tert-butyl N-[(E)-6-(4-methylphenyl)sulfonyl-4-oxidanylidene-hex-2-enyl]-N-(phenylmethyl)carbamate Openeye Name: tert-butyl N-benzyl-N-[(E)-4-oxo-6-(p-tolylsulfonyl)hex-2-enyl]carbamate CAS Name: N-[(E)-6-(4-methylphenyl)sulfonyl-4-oxohex-2-enyl]-N-(phenylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-benzyl-N-[(E)-6-(4-methylphenyl)sulfonyl-4-oxohex-2-enyl]carbamate Traditional Name: N-benzyl-N-[(E)-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=CCN(CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO5S/c1-20-12-14-23(15-13-20)32(29,30)18-16-22(27)11-8-17-26(24(28)31-25(2,3)4)19-21-9-6-5-7-10-21/h5-15H,16-19H2,1-4H3/b11-8+