[4-(4-cyanophenyl)phenyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H21ClN2O4S/c26-24-13-12-22(33(30,31)28-14-2-1-3-15-28)16-23(24)25(29)32-21-10-8-20(9-11-21)19-6-4-18(17-27)5-7-19/h4-13,16H,1-3,14-15H2