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

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-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=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

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

InChI

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