tert-butyl (3S)-5-methyl-2-methylidene-3-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]hexanoate

Systemtic Name: tert-butyl (3S)-5-methyl-2-methylidene-3-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]hexanoate Openeye Name: tert-butyl (3S)-3-[allyl(p-tolylsulfonyl)amino]-5-methyl-2-methylene-hexanoate CAS Name: (3S)-5-methyl-2-methylene-3-[(4-methylphenyl)sulfonyl-prop-2-enylamino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-5-methyl-2-methylidene-3-[(4-methylphenyl)sulfonyl-prop-2-enylamino]hexanoate Traditional Name: 2-[(1S)-1-[allyl(tosyl)amino]-3-methyl-butyl]acrylic acid tert-butyl ester Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C(CC(C)C)C(=C)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO4S/c1-9-14-23(28(25,26)19-12-10-17(4)11-13-19)20(15-16(2)3)18(5)21(24)27-22(6,7)8/h9-13,16,20H,1,5,14-15H2,2-4,6-8H3/t20-/m0/s1