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

Systemtic Name: tert-butyl (3S)-2-methylidene-3-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]pentanoate Openeye Name: tert-butyl (3S)-3-[allyl(p-tolylsulfonyl)amino]-2-methylene-pentanoate CAS Name: (3S)-2-methylene-3-[(4-methylphenyl)sulfonyl-prop-2-enylamino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-2-methylidene-3-[(4-methylphenyl)sulfonyl-prop-2-enylamino]pentanoate Traditional Name: 2-[(1S)-1-[allyl(tosyl)amino]propyl]acrylic acid tert-butyl ester Formula: C20H29NO4S MolecularWeight: 379.51356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[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/C20H29NO4S/c1-8-14-21(26(23,24)17-12-10-15(3)11-13-17)18(9-2)16(4)19(22)25-20(5,6)7/h8,10-13,18H,1,4,9,14H2,2-3,5-7H3/t18-/m0/s1