tert-butyl N-[(1S,2S)-2-[(4-methylphenyl)sulfonylamino]-1-phenyl-but-3-enyl]carbamate

Systemtic Name: tert-butyl N-[(1S,2S)-2-[(4-methylphenyl)sulfonylamino]-1-phenyl-but-3-enyl]carbamate Openeye Name: tert-butyl N-[(1S,2S)-1-phenyl-2-(p-tolylsulfonylamino)but-3-enyl]carbamate CAS Name: N-[(1S,2S)-2-[(4-methylphenyl)sulfonylamino]-1-phenylbut-3-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S,2S)-2-[(4-methylphenyl)sulfonylamino]-1-phenylbut-3-enyl]carbamate Traditional Name: N-[(1S,2S)-1-phenyl-2-(tosylamino)but-3-enyl]carbamic acid tert-butyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-6-19(24-29(26,27)18-14-12-16(2)13-15-18)20(17-10-8-7-9-11-17)23-21(25)28-22(3,4)5/h6-15,19-20,24H,1H2,2-5H3,(H,23,25)/t19-,20-/m0/s1