(2,3,6-trimethylphenyl) (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: (2,3,6-trimethylphenyl) (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: (2,3,6-trimethylphenyl) (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylic acid (2,3,6-trimethylphenyl) ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C=CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C24H29NO5S/c1-17-8-9-18(2)24(19(17)3)30-23(26)13-11-20-10-12-21(29-4)22(16-20)31(27,28)25-14-6-5-7-15-25/h8-13,16H,5-7,14-15H2,1-4H3/b13-11+