[4-[(3-phenyl-5-propan-2-yl-1,2-oxazol-4-yl)sulfonyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(3-phenyl-5-propan-2-yl-1,2-oxazol-4-yl)sulfonyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(5-isopropyl-3-phenyl-isoxazol-4-yl)sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(3-phenyl-5-propan-2-yl-4-isoxazolyl)sulfonyl]phenyl] ester IUPAC Name: [4-[(3-phenyl-5-propan-2-yl-1,2-oxazol-4-yl)sulfonyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(5-isopropyl-3-phenyl-isoxazol-4-yl)sulfonylphenyl] ester Formula: C25H23NO6S2 MolecularWeight: 497.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C3=C(ON=C3C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C3=C(ON=C3C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C25H23NO6S2/c1-17(2)24-25(23(26-31-24)19-7-5-4-6-8-19)33(27,28)21-15-11-20(12-16-21)32-34(29,30)22-13-9-18(3)10-14-22/h4-17H,1-3H3