phenacyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: phenacyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: phenacyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid phenacyl ester IUPAC Name: phenacyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid phenacyl ester Formula: C23H25NO5S MolecularWeight: 427.5133

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)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO5S/c25-22(20-8-4-3-5-9-20)18-29-23(26)15-12-19-10-13-21(14-11-19)30(27,28)24-16-6-1-2-7-17-24/h3-5,8-15H,1-2,6-7,16-18H2