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

Systemtic Name: (1-pentyl-4-thiophen-2-yl-piperidin-2-yl)methyl benzenesulfonate Openeye Name: [1-pentyl-4-(2-thienyl)-2-piperidyl]methyl benzenesulfonate CAS Name: benzenesulfonic acid (1-pentyl-4-thiophen-2-yl-2-piperidinyl)methyl ester IUPAC Name: (1-pentyl-4-thiophen-2-ylpiperidin-2-yl)methyl benzenesulfonate Traditional Name: benzenesulfonic acid [1-amyl-4-(2-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=CC=CS3

Isomeric SMILES

CCCCCN1CCC(CC1COS(=O)(=O)C2=CC=CC=C2)C3=CC=CS3

InChI

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