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

Systemtic Name: 2-[[(1R)-1-(furan-2-yl)pentyl]-(4-methylphenyl)sulfonyl-amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[[(1R)-1-(2-furyl)pentyl]-(p-tolylsulfonyl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[(1R)-1-(2-furanyl)pentyl]-(4-methylphenyl)sulfonylamino]ethyl ester IUPAC Name: 2-[[(1R)-1-(furan-2-yl)pentyl]-(4-methylphenyl)sulfonylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[(1R)-1-(2-furyl)pentyl]-tosyl-amino]ethyl ester Formula: C25H31NO6S2 MolecularWeight: 505.64674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CO1)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC[C@H](C1=CC=CO1)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H31NO6S2/c1-4-5-7-24(25-8-6-18-31-25)26(33(27,28)22-13-9-20(2)10-14-22)17-19-32-34(29,30)23-15-11-21(3)12-16-23/h6,8-16,18,24H,4-5,7,17,19H2,1-3H3/t24-/m1/s1