[1-butyl-2-(4-dimethylaminophenyl)piperidin-2-yl]methyl benzenesulfonate

Systemtic Name: [1-butyl-2-(4-dimethylaminophenyl)piperidin-2-yl]methyl benzenesulfonate Openeye Name: [1-butyl-2-(4-dimethylaminophenyl)-2-piperidyl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [1-butyl-2-(4-dimethylaminophenyl)-2-piperidinyl]methyl ester IUPAC Name: [1-butyl-2-(4-dimethylaminophenyl)piperidin-2-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [1-butyl-2-(4-dimethylaminophenyl)-2-piperidyl]methyl ester Formula: C24H34N2O3S MolecularWeight: 430.60336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCCC1(COS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCN1CCCCC1(COS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C24H34N2O3S/c1-4-5-18-26-19-10-9-17-24(26,21-13-15-22(16-14-21)25(2)3)20-29-30(27,28)23-11-7-6-8-12-23/h6-8,11-16H,4-5,9-10,17-20H2,1-3H3