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

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (2-methoxy-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-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (2-keto-2-methoxy-ethyl) ester Formula: C18H23NO6S MolecularWeight: 381.44332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)COC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H23NO6S/c1-24-18(21)14-25-17(20)11-8-15-6-9-16(10-7-15)26(22,23)19-12-4-2-3-5-13-19/h6-11H,2-5,12-14H2,1H3/b11-8+