tert-butyl N-[(E,2S)-1-(4-hydroxyphenyl)-4-(phenylsulfonyl)but-3-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(E,2S)-1-(4-hydroxyphenyl)-4-(phenylsulfonyl)but-3-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E,1S)-3-(benzenesulfonyl)-1-[(4-hydroxyphenyl)methyl]allyl]carbamate CAS Name: N-[(E,2S)-4-(benzenesulfonyl)-1-(4-hydroxyphenyl)but-3-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,2S)-4-(benzenesulfonyl)-1-(4-hydroxyphenyl)but-3-en-2-yl]carbamate Traditional Name: N-[(E,1S)-3-besyl-1-(4-hydroxybenzyl)allyl]carbamic acid tert-butyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-21(2,3)27-20(24)22-17(15-16-9-11-18(23)12-10-16)13-14-28(25,26)19-7-5-4-6-8-19/h4-14,17,23H,15H2,1-3H3,(H,22,24)/b14-13+/t17-/m1/s1