(2S)-2-ethyl-3-(4-methylphenyl)sulfonyl-1-piperidin-1-yl-hexan-1-one

Systemtic Name: (2S)-2-ethyl-3-(4-methylphenyl)sulfonyl-1-piperidin-1-yl-hexan-1-one Openeye Name: (2S)-2-ethyl-1-(1-piperidyl)-3-(p-tolylsulfonyl)hexan-1-one CAS Name: (2S)-2-ethyl-3-(4-methylphenyl)sulfonyl-1-(1-piperidinyl)-1-hexanone IUPAC Name: (2S)-2-ethyl-3-(4-methylphenyl)sulfonyl-1-piperidin-1-ylhexan-1-one Traditional Name: (2S)-2-ethyl-1-piperidino-3-tosyl-hexan-1-one Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)C(=O)N1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC([C@@H](CC)C(=O)N1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H31NO3S/c1-4-9-19(25(23,24)17-12-10-16(3)11-13-17)18(5-2)20(22)21-14-7-6-8-15-21/h10-13,18-19H,4-9,14-15H2,1-3H3/t18-,19?/m1/s1