1-piperidin-2-ylpropyl 2-[[2,6-bis(chloranyl)phenyl]methyl]-3-cyano-4-methyl-benzenesulfonate

Systemtic Name: 1-piperidin-2-ylpropyl 2-[[2,6-bis(chloranyl)phenyl]methyl]-3-cyano-4-methyl-benzenesulfonate Openeye Name: 1-(2-piperidyl)propyl 3-cyano-2-[(2,6-dichlorophenyl)methyl]-4-methyl-benzenesulfonate CAS Name: 3-cyano-2-[(2,6-dichlorophenyl)methyl]-4-methylbenzenesulfonic acid 1-(2-piperidinyl)propyl ester IUPAC Name: 1-piperidin-2-ylpropyl 3-cyano-2-[(2,6-dichlorophenyl)methyl]-4-methylbenzenesulfonate Traditional Name: 3-cyano-2-(2,6-dichlorobenzyl)-4-methyl-benzenesulfonic acid 1-(2-piperidyl)propyl ester Formula: C23H26Cl2N2O3S MolecularWeight: 481.43514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCN1)OS(=O)(=O)C2=C(C(=C(C=C2)C)C#N)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CCC(C1CCCCN1)OS(=O)(=O)C2=C(C(=C(C=C2)C)C#N)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C23H26Cl2N2O3S/c1-3-22(21-9-4-5-12-27-21)30-31(28,29)23-11-10-15(2)18(14-26)16(23)13-17-19(24)7-6-8-20(17)25/h6-8,10-11,21-22,27H,3-5,9,12-13H2,1-2H3