propyl 5-cyano-3-[(3-methoxyphenyl)methyl]-4-methyl-2-piperidin-2-yl-benzenesulfonate

Systemtic Name: propyl 5-cyano-3-[(3-methoxyphenyl)methyl]-4-methyl-2-piperidin-2-yl-benzenesulfonate Openeye Name: propyl 5-cyano-3-[(3-methoxyphenyl)methyl]-4-methyl-2-(2-piperidyl)benzenesulfonate CAS Name: 5-cyano-3-[(3-methoxyphenyl)methyl]-4-methyl-2-(2-piperidinyl)benzenesulfonic acid propyl ester IUPAC Name: propyl 5-cyano-3-[(3-methoxyphenyl)methyl]-4-methyl-2-piperidin-2-ylbenzenesulfonate Traditional Name: 5-cyano-3-m-anisyl-4-methyl-2-(2-piperidyl)benzenesulfonic acid propyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)C1=C(C(=C(C(=C1)C#N)C)CC2=CC(=CC=C2)OC)C3CCCCN3

Isomeric SMILES

CCCOS(=O)(=O)C1=C(C(=C(C(=C1)C#N)C)CC2=CC(=CC=C2)OC)C3CCCCN3

InChI

InChI=1S/C24H30N2O4S/c1-4-12-30-31(27,28)23-15-19(16-25)17(2)21(24(23)22-10-5-6-11-26-22)14-18-8-7-9-20(13-18)29-3/h7-9,13,15,22,26H,4-6,10-12,14H2,1-3H3