(2-chloranyl-5-methyl-phenyl) (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: (2-chloro-5-methyl-phenyl) (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-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylic acid (2-chloro-5-methyl-phenyl) ester Formula: C22H24ClNO5S MolecularWeight: 449.94766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO5S/c1-16-6-9-18(23)20(14-16)29-22(25)11-8-17-7-10-19(28-2)21(15-17)30(26,27)24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3/b11-8+