tert-butyl (3S)-2-methylidene-3-[(4-methylphenyl)sulfonylamino]octanoate

Systemtic Name: tert-butyl (3S)-2-methylidene-3-[(4-methylphenyl)sulfonylamino]octanoate Openeye Name: tert-butyl (3S)-2-methylene-3-(p-tolylsulfonylamino)octanoate CAS Name: (3S)-2-methylene-3-[(4-methylphenyl)sulfonylamino]octanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-2-methylidene-3-[(4-methylphenyl)sulfonylamino]octanoate Traditional Name: 2-[(1S)-1-(tosylamino)hexyl]acrylic acid tert-butyl ester Formula: C20H31NO4S MolecularWeight: 381.52944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=C)C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCC[C@@H](C(=C)C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C20H31NO4S/c1-7-8-9-10-18(16(3)19(22)25-20(4,5)6)21-26(23,24)17-13-11-15(2)12-14-17/h11-14,18,21H,3,7-10H2,1-2,4-6H3/t18-/m0/s1