[(1S)-2-oxidanylidenecyclohexyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: [(1S)-2-oxocyclohexyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid [(1S)-2-ketocyclohexyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OC3CCCCC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C21H27NO5S/c23-19-7-3-4-8-20(19)27-21(24)14-11-17-9-12-18(13-10-17)28(25,26)22-15-5-1-2-6-16-22/h9-14,20H,1-8,15-16H2/b14-11+/t20-/m0/s1