[(2S)-2-[(4-methylphenyl)sulfonyl-[(2S)-2-oxidanylhex-5-enyl]amino]pent-4-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-[(4-methylphenyl)sulfonyl-[(2S)-2-oxidanylhex-5-enyl]amino]pent-4-enyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-[[(2S)-2-hydroxyhex-5-enyl]-(p-tolylsulfonyl)amino]pent-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[[(2S)-2-hydroxyhex-5-enyl]-(4-methylphenyl)sulfonylamino]pent-4-enyl] ester IUPAC Name: [(2S)-2-[[(2S)-2-hydroxyhex-5-enyl]-(4-methylphenyl)sulfonylamino]pent-4-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-[[(2S)-2-hydroxyhex-5-enyl]-tosyl-amino]pent-4-enyl] ester Formula: C25H33NO6S2 MolecularWeight: 507.66262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CCC=C)O)C(CC=C)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](CCC=C)O)[C@@H](CC=C)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C25H33NO6S2/c1-5-7-9-23(27)18-26(33(28,29)24-14-10-20(3)11-15-24)22(8-6-2)19-32-34(30,31)25-16-12-21(4)13-17-25/h5-6,10-17,22-23,27H,1-2,7-9,18-19H2,3-4H3/t22-,23-/m0/s1