(2S)-2-[1-(4-methylphenyl)sulfonylethyl]-1-piperidin-1-yl-hexan-1-one

Systemtic Name: (2S)-2-[1-(4-methylphenyl)sulfonylethyl]-1-piperidin-1-yl-hexan-1-one Openeye Name: (2S)-1-(1-piperidyl)-2-[1-(p-tolylsulfonyl)ethyl]hexan-1-one CAS Name: (2S)-2-[1-(4-methylphenyl)sulfonylethyl]-1-(1-piperidinyl)-1-hexanone IUPAC Name: (2S)-2-[1-(4-methylphenyl)sulfonylethyl]-1-piperidin-1-ylhexan-1-one Traditional Name: (2S)-1-piperidino-2-(1-tosylethyl)hexan-1-one Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)S(=O)(=O)C1=CC=C(C=C1)C)C(=O)N2CCCCC2

Isomeric SMILES

CCCC[C@H](C(C)S(=O)(=O)C1=CC=C(C=C1)C)C(=O)N2CCCCC2

InChI

InChI=1S/C20H31NO3S/c1-4-5-9-19(20(22)21-14-7-6-8-15-21)17(3)25(23,24)18-12-10-16(2)11-13-18/h10-13,17,19H,4-9,14-15H2,1-3H3/t17?,19-/m1/s1