[1-(2-methylbutyl)-4-thiophen-3-yl-piperidin-2-yl]methyl benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1CCC(CC1COS(=O)(=O)C2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

CCC(C)CN1CCC(CC1COS(=O)(=O)C2=CC=CC=C2)C3=CSC=C3

InChI

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