3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenoxy]propanal

Systemtic Name: 3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenoxy]propanal Openeye Name: 3-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenoxy]propanal CAS Name: 3-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenoxy]propanal IUPAC Name: 3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenoxy]propanal Traditional Name: 3-[4-[(3S)-3-methylpiperidino]sulfonylphenoxy]propionaldehyde Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCCC=O

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCCC=O

InChI

InChI=1S/C15H21NO4S/c1-13-4-2-9-16(12-13)21(18,19)15-7-5-14(6-8-15)20-11-3-10-17/h5-8,10,13H,2-4,9,11-12H2,1H3/t13-/m0/s1