2-[1-[cyano-(4-phenoxyphenyl)methyl]piperidin-2-yl]-4-methyl-benzenesulfonate

Systemtic Name: 2-[1-[cyano-(4-phenoxyphenyl)methyl]piperidin-2-yl]-4-methyl-benzenesulfonate Openeye Name: 2-[1-[cyano-(4-phenoxyphenyl)methyl]-2-piperidyl]-4-methyl-benzenesulfonate CAS Name: 2-[1-[cyano-(4-phenoxyphenyl)methyl]-2-piperidinyl]-4-methylbenzenesulfonate IUPAC Name: 2-[1-[cyano-(4-phenoxyphenyl)methyl]piperidin-2-yl]-4-methylbenzenesulfonate Traditional Name: 2-[1-[cyano-(4-phenoxyphenyl)methyl]-2-piperidyl]-4-methyl-besylate Formula: C26H25N2O4S- MolecularWeight: 461.5527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C2CCCCN2C(C#N)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C2CCCCN2C(C#N)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

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