tert-butyl N-[1-[[(E)-4-methylsulfonyl-1-phenyl-but-3-en-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[(E)-4-methylsulfonyl-1-phenyl-but-3-en-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[(E)-1-benzyl-3-methylsulfonyl-allyl]amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[1-[[(E)-4-methylsulfonyl-1-phenylbut-3-en-2-yl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[(E)-4-methylsulfonyl-1-phenylbut-3-en-2-yl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[(E)-1-benzyl-3-mesyl-allyl]amino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-14(20-18(23)26-19(2,3)4)17(22)21-16(11-12-27(5,24)25)13-15-9-7-6-8-10-15/h6-12,14,16H,13H2,1-5H3,(H,20,23)(H,21,22)/b12-11+