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(1-pentyl-4-thiophen-3-yl-piperidin-2-yl)methyl benzenesulfonate

Systemtic Name:	(1-pentyl-4-thiophen-3-yl-piperidin-2-yl)methyl benzenesulfonate
Openeye Name:	[1-pentyl-4-(3-thienyl)-2-piperidyl]methyl benzenesulfonate
CAS Name:	benzenesulfonic acid [1-pentyl-4-(3-thiophenyl)-2-piperidinyl]methyl ester
IUPAC Name:	(1-pentyl-4-thiophen-3-ylpiperidin-2-yl)methyl benzenesulfonate
Traditional Name:	benzenesulfonic acid [1-amyl-4-(3-thienyl)-2-piperidyl]methyl ester
Formula:	C₂₁H₂₉NO₃S₂
MolecularWeight:	407.58986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(CC1COS(=O)(=O)C2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

CCCCCN1CCC(CC1COS(=O)(=O)C2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C21H29NO3S2/c1-2-3-7-12-22-13-10-18(19-11-14-26-17-19)15-20(22)16-25-27(23,24)21-8-5-4-6-9-21/h4-6,8-9,11,14,17-18,20H,2-3,7,10,12-13,15-16H2,1H3

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