[(2R)-4-[ethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-2-phenylmethoxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-4-[ethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-2-phenylmethoxy-butyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-benzyloxy-4-[ethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]-2-phenylmethoxybutyl] ester IUPAC Name: [(2R)-4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]-2-phenylmethoxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-benzoxy-4-[ethyl(mesitylsulfonyl)amino]butyl] ester Formula: C29H37NO6S2 MolecularWeight: 559.73718

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(COS(=O)(=O)C1=CC=C(C=C1)C)OCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCN(CC[C@H](COS(=O)(=O)C1=CC=C(C=C1)C)OCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C29H37NO6S2/c1-6-30(37(31,32)29-24(4)18-23(3)19-25(29)5)17-16-27(35-20-26-10-8-7-9-11-26)21-36-38(33,34)28-14-12-22(2)13-15-28/h7-15,18-19,27H,6,16-17,20-21H2,1-5H3/t27-/m1/s1