[4-(4-cyanophenyl)phenyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C27H26N2O4S/c1-19-15-20(2)18-29(17-19)34(31,32)26-13-9-24(10-14-26)27(30)33-25-11-7-23(8-12-25)22-5-3-21(16-28)4-6-22/h3-14,19-20H,15,17-18H2,1-2H3