(2-chloranyl-6-fluoranyl-phenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C22H23ClFNO4S MolecularWeight: 451.938723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H23ClFNO4S/c23-20-6-5-7-21(24)19(20)16-29-22(26)13-10-17-8-11-18(12-9-17)30(27,28)25-14-3-1-2-4-15-25/h5-13H,1-4,14-16H2