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

Systemtic Name: [2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-methoxy-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [4-[(E)-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H27NO7S MolecularWeight: 473.53868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H27NO7S/c1-30-22-16-18(11-13-23(26)31-2)10-12-21(22)32-24(27)19-8-7-9-20(17-19)33(28,29)25-14-5-3-4-6-15-25/h7-13,16-17H,3-6,14-15H2,1-2H3/b13-11+