(E)-3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]prop-2-enoate Openeye Name: (E)-3-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]acrylate Formula: C15H18NO4S- MolecularWeight: 308.37272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4S/c1-12-3-2-10-16(11-12)21(19,20)14-7-4-13(5-8-14)6-9-15(17)18/h4-9,12H,2-3,10-11H2,1H3,(H,17,18)/p-1/b9-6+/t12-/m0/s1