tert-butyl N-[(Z)-4-cyano-3-oxidanyl-1-phenyl-4-(phenylsulfonyl)but-3-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(Z)-4-cyano-3-oxidanyl-1-phenyl-4-(phenylsulfonyl)but-3-en-2-yl]carbamate Openeye Name: tert-butyl N-[(Z)-3-(benzenesulfonyl)-1-benzyl-3-cyano-2-hydroxy-allyl]carbamate CAS Name: N-[(Z)-4-(benzenesulfonyl)-4-cyano-3-hydroxy-1-phenylbut-3-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(Z)-4-(benzenesulfonyl)-4-cyano-3-hydroxy-1-phenylbut-3-en-2-yl]carbamate Traditional Name: N-[(Z)-1-benzyl-3-besyl-3-cyano-2-hydroxy-allyl]carbamic acid tert-butyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)/C(=C(\C#N)/S(=O)(=O)C2=CC=CC=C2)/O

InChI

InChI=1S/C22H24N2O5S/c1-22(2,3)29-21(26)24-18(14-16-10-6-4-7-11-16)20(25)19(15-23)30(27,28)17-12-8-5-9-13-17/h4-13,18,25H,14H2,1-3H3,(H,24,26)/b20-19-