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

Systemtic Name: tert-butyl (3S)-4-methyl-2-methylidene-3-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]pentanoate Openeye Name: tert-butyl (3S)-3-[allyl(p-tolylsulfonyl)amino]-4-methyl-2-methylene-pentanoate CAS Name: (3S)-4-methyl-2-methylene-3-[(4-methylphenyl)sulfonyl-prop-2-enylamino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-methyl-2-methylidene-3-[(4-methylphenyl)sulfonyl-prop-2-enylamino]pentanoate Traditional Name: 2-[(1S)-1-[allyl(tosyl)amino]-2-methyl-propyl]acrylic acid tert-butyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H31NO4S/c1-9-14-22(27(24,25)18-12-10-16(4)11-13-18)19(15(2)3)17(5)20(23)26-21(6,7)8/h9-13,15,19H,1,5,14H2,2-4,6-8H3/t19-/m0/s1