2-[4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate Openeye Name: 2-[4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxo-prop-1-enyl]phenoxy]acetate CAS Name: 2-[4-[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-3-oxoprop-1-enyl]phenoxy]acetate IUPAC Name: 2-[4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxoprop-1-enyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-3-keto-prop-1-enyl]phenoxy]acetate Formula: C23H24NO6S- MolecularWeight: 442.50476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)OCC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)OCC(=O)[O-]

InChI

InChI=1S/C23H25NO6S/c25-22(14-7-18-5-10-20(11-6-18)30-17-23(26)27)19-8-12-21(13-9-19)31(28,29)24-15-3-1-2-4-16-24/h5-14H,1-4,15-17H2,(H,26,27)/p-1/b14-7+