(4-ethanoyl-2-methoxy-phenyl) (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (4-acetyl-2-methoxy-phenyl) (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (4-acetyl-2-methoxy-phenyl) ester Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H27NO6S/c1-18(26)20-10-13-22(23(17-20)30-2)31-24(27)14-9-19-7-11-21(12-8-19)32(28,29)25-15-5-3-4-6-16-25/h7-14,17H,3-6,15-16H2,1-2H3/b14-9+