[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C24H34N2O5S MolecularWeight: 462.60216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H34N2O5S/c1-20(24(28)25-16-6-2-3-7-17-25)31-23(27)15-12-21-10-13-22(14-11-21)32(29,30)26-18-8-4-5-9-19-26/h10-15,20H,2-9,16-19H2,1H3/b15-12+