[2-(3-ethanoyl-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-2-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-ethanoyl-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[3-acetyl-5-(2-naphthyl)-2H-1,3,4-oxadiazol-2-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[3-acetyl-5-(2-naphthalenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl] ester IUPAC Name: [2-(3-acetyl-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[3-acetyl-5-(2-naphthyl)-2H-1,3,4-oxadiazol-2-yl]phenyl] ester Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3N(N=C(O3)C4=CC5=CC=CC=C5C=C4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3N(N=C(O3)C4=CC5=CC=CC=C5C=C4)C(=O)C

InChI

InChI=1S/C27H22N2O5S/c1-18-11-15-23(16-12-18)35(31,32)34-25-10-6-5-9-24(25)27-29(19(2)30)28-26(33-27)22-14-13-20-7-3-4-8-21(20)17-22/h3-17,27H,1-2H3