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

Systemtic Name: tert-butyl (3S)-2-methylidene-3-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]octanoate Openeye Name: tert-butyl (3S)-3-[allyl(p-tolylsulfonyl)amino]-2-methylene-octanoate CAS Name: (3S)-2-methylene-3-[(4-methylphenyl)sulfonyl-prop-2-enylamino]octanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-2-methylidene-3-[(4-methylphenyl)sulfonyl-prop-2-enylamino]octanoate Traditional Name: 2-[(1S)-1-[allyl(tosyl)amino]hexyl]acrylic acid tert-butyl ester Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[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/C23H35NO4S/c1-8-10-11-12-21(19(4)22(25)28-23(5,6)7)24(17-9-2)29(26,27)20-15-13-18(3)14-16-20/h9,13-16,21H,2,4,8,10-12,17H2,1,3,5-7H3/t21-/m0/s1