pyridin-3-yl 4-methyl-2-[(1R)-1-[2-(4-propan-2-ylphenyl)ethanoylamino]ethyl]benzenesulfonate

Systemtic Name: pyridin-3-yl 4-methyl-2-[(1R)-1-[2-(4-propan-2-ylphenyl)ethanoylamino]ethyl]benzenesulfonate Openeye Name: 3-pyridyl 2-[(1R)-1-[[2-(4-isopropylphenyl)acetyl]amino]ethyl]-4-methyl-benzenesulfonate CAS Name: 4-methyl-2-[(1R)-1-[[1-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]ethyl]benzenesulfonic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-methyl-2-[(1R)-1-[[2-(4-propan-2-ylphenyl)acetyl]amino]ethyl]benzenesulfonate Traditional Name: 4-methyl-2-[(1R)-1-[(2-p-cumenylacetyl)amino]ethyl]benzenesulfonic acid 3-pyridyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CN=CC=C2)C(C)NC(=O)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CN=CC=C2)[C@@H](C)NC(=O)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H28N2O4S/c1-17(2)21-10-8-20(9-11-21)15-25(28)27-19(4)23-14-18(3)7-12-24(23)32(29,30)31-22-6-5-13-26-16-22/h5-14,16-17,19H,15H2,1-4H3,(H,27,28)/t19-/m1/s1