[4-(4-cyanophenyl)phenyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H24N2O4S/c1-19-5-8-23(17-25(19)33(30,31)28-15-3-2-4-16-28)26(29)32-24-13-11-22(12-14-24)21-9-6-20(18-27)7-10-21/h5-14,17H,2-4,15-16H2,1H3