propyl 3-[[2,6-bis(chloranyl)phenyl]methyl]-5-cyano-4-methyl-2-piperidin-2-yl-benzenesulfonate

Systemtic Name: propyl 3-[[2,6-bis(chloranyl)phenyl]methyl]-5-cyano-4-methyl-2-piperidin-2-yl-benzenesulfonate Openeye Name: propyl 5-cyano-3-[(2,6-dichlorophenyl)methyl]-4-methyl-2-(2-piperidyl)benzenesulfonate CAS Name: 5-cyano-3-[(2,6-dichlorophenyl)methyl]-4-methyl-2-(2-piperidinyl)benzenesulfonic acid propyl ester IUPAC Name: propyl 5-cyano-3-[(2,6-dichlorophenyl)methyl]-4-methyl-2-piperidin-2-ylbenzenesulfonate Traditional Name: 5-cyano-3-(2,6-dichlorobenzyl)-4-methyl-2-(2-piperidyl)benzenesulfonic acid propyl ester Formula: C23H26Cl2N2O3S MolecularWeight: 481.43514

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Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)C1=C(C(=C(C(=C1)C#N)C)CC2=C(C=CC=C2Cl)Cl)C3CCCCN3

Isomeric SMILES

CCCOS(=O)(=O)C1=C(C(=C(C(=C1)C#N)C)CC2=C(C=CC=C2Cl)Cl)C3CCCCN3

InChI

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