(4-methoxyphenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (4-methoxyphenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (4-methoxyphenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid p-anisyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27NO5S/c1-28-21-11-6-20(7-12-21)18-29-23(25)15-10-19-8-13-22(14-9-19)30(26,27)24-16-4-2-3-5-17-24/h6-15H,2-5,16-18H2,1H3/b15-10+