2-[[(1R)-1-(furan-2-yl)-3-phenyl-propyl]-(4-methylphenyl)sulfonyl-amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[[(1R)-1-(furan-2-yl)-3-phenyl-propyl]-(4-methylphenyl)sulfonyl-amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[[(1R)-1-(2-furyl)-3-phenyl-propyl]-(p-tolylsulfonyl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[(1R)-1-(2-furanyl)-3-phenylpropyl]-(4-methylphenyl)sulfonylamino]ethyl ester IUPAC Name: 2-[[(1R)-1-(furan-2-yl)-3-phenylpropyl]-(4-methylphenyl)sulfonylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[(1R)-1-(2-furyl)-3-phenyl-propyl]-tosyl-amino]ethyl ester Formula: C29H31NO6S2 MolecularWeight: 553.68954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)C(CCC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)[C@H](CCC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C29H31NO6S2/c1-23-10-15-26(16-11-23)37(31,32)30(20-22-36-38(33,34)27-17-12-24(2)13-18-27)28(29-9-6-21-35-29)19-14-25-7-4-3-5-8-25/h3-13,15-18,21,28H,14,19-20,22H2,1-2H3/t28-/m1/s1