(1-butyl-4-phenyl-piperidin-3-yl)methyl benzenesulfonate

Systemtic Name: (1-butyl-4-phenyl-piperidin-3-yl)methyl benzenesulfonate Openeye Name: (1-butyl-4-phenyl-3-piperidyl)methyl benzenesulfonate CAS Name: benzenesulfonic acid (1-butyl-4-phenyl-3-piperidinyl)methyl ester IUPAC Name: (1-butyl-4-phenylpiperidin-3-yl)methyl benzenesulfonate Traditional Name: benzenesulfonic acid (1-butyl-4-phenyl-3-piperidyl)methyl ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)COS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1CCC(C(C1)COS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H29NO3S/c1-2-3-15-23-16-14-22(19-10-6-4-7-11-19)20(17-23)18-26-27(24,25)21-12-8-5-9-13-21/h4-13,20,22H,2-3,14-18H2,1H3