(2-fluorophenyl) (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: (2-fluorophenyl) (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: (2-fluorophenyl) (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenoic acid (2-fluorophenyl) ester IUPAC Name: (2-fluorophenyl) (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylic acid (2-fluorophenyl) ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC2=CC=CC=C2F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OC2=CC=CC=C2F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22FNO5S/c1-27-19-11-9-16(10-12-21(24)28-18-8-4-3-7-17(18)22)15-20(19)29(25,26)23-13-5-2-6-14-23/h3-4,7-12,15H,2,5-6,13-14H2,1H3/b12-10+