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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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