piperidin-2-yl 3-cyano-4-methyl-2-[(4-phenoxyphenyl)methyl]benzenesulfonate

Systemtic Name: piperidin-2-yl 3-cyano-4-methyl-2-[(4-phenoxyphenyl)methyl]benzenesulfonate Openeye Name: 2-piperidyl 3-cyano-4-methyl-2-[(4-phenoxyphenyl)methyl]benzenesulfonate CAS Name: 3-cyano-4-methyl-2-[(4-phenoxyphenyl)methyl]benzenesulfonic acid 2-piperidinyl ester IUPAC Name: piperidin-2-yl 3-cyano-4-methyl-2-[(4-phenoxyphenyl)methyl]benzenesulfonate Traditional Name: 3-cyano-4-methyl-2-(4-phenoxybenzyl)benzenesulfonic acid 2-piperidyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)OC2CCCCN2)CC3=CC=C(C=C3)OC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)OC2CCCCN2)CC3=CC=C(C=C3)OC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H26N2O4S/c1-19-10-15-25(33(29,30)32-26-9-5-6-16-28-26)23(24(19)18-27)17-20-11-13-22(14-12-20)31-21-7-3-2-4-8-21/h2-4,7-8,10-15,26,28H,5-6,9,16-17H2,1H3