[4-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylphenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylphenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl] ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H26N2O5S/c1-18-9-10-19(2)25(16-18)35(31,32)34-22-13-11-20(12-14-22)27(30)29-15-5-6-21(17-29)26-28-23-7-3-4-8-24(23)33-26/h3-4,7-14,16,21H,5-6,15,17H2,1-2H3