(1-butyl-4-thiophen-2-yl-piperidin-2-yl)methyl benzenesulfonate

Systemtic Name: (1-butyl-4-thiophen-2-yl-piperidin-2-yl)methyl benzenesulfonate Openeye Name: [1-butyl-4-(2-thienyl)-2-piperidyl]methyl benzenesulfonate CAS Name: benzenesulfonic acid (1-butyl-4-thiophen-2-yl-2-piperidinyl)methyl ester IUPAC Name: (1-butyl-4-thiophen-2-ylpiperidin-2-yl)methyl benzenesulfonate Traditional Name: benzenesulfonic acid [1-butyl-4-(2-thienyl)-2-piperidyl]methyl ester Formula: C20H27NO3S2 MolecularWeight: 393.56328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1COS(=O)(=O)C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCCCN1CCC(CC1COS(=O)(=O)C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H27NO3S2/c1-2-3-12-21-13-11-17(20-10-7-14-25-20)15-18(21)16-24-26(22,23)19-8-5-4-6-9-19/h4-10,14,17-18H,2-3,11-13,15-16H2,1H3