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

Systemtic Name: (phenylmethyl) N-[(E,2S)-7-(4-methylphenyl)sulfonyl-5-oxidanylidene-1-phenyl-hept-3-en-2-yl]carbamate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C28H29NO5S MolecularWeight: 491.59856

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)/C=C/[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H29NO5S/c1-22-12-16-27(17-13-22)35(32,33)19-18-26(30)15-14-25(20-23-8-4-2-5-9-23)29-28(31)34-21-24-10-6-3-7-11-24/h2-17,25H,18-21H2,1H3,(H,29,31)/b15-14+/t25-/m1/s1