methyl (E)-3-[3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[3-methoxy-4-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[3-methoxy-4-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-methoxy-4-(2-nitro-4-piperidinosulfonyl-phenoxy)phenyl]acrylic acid methyl ester Formula: C22H24N2O8S MolecularWeight: 476.49956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O8S/c1-30-21-14-16(7-11-22(25)31-2)6-9-20(21)32-19-10-8-17(15-18(19)24(26)27)33(28,29)23-12-4-3-5-13-23/h6-11,14-15H,3-5,12-13H2,1-2H3/b11-7+