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

Systemtic Name: [2-(cyclohexylcarbonylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: [2-(cyclohexanecarbonylamino)-2-oxo-ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [2-[[cyclohexyl(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexanecarbonylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid [2-(cyclohexanecarbonylamino)-2-keto-ethyl] ester Formula: C24H32N2O6S MolecularWeight: 476.58568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)NC(=O)C3CCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)NC(=O)C3CCCCC3

InChI

InChI=1S/C24H32N2O6S/c27-22(25-24(29)20-8-4-3-5-9-20)18-32-23(28)15-12-19-10-13-21(14-11-19)33(30,31)26-16-6-1-2-7-17-26/h10-15,20H,1-9,16-18H2,(H,25,27,29)/b15-12+