[2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-methoxy-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl] 3-(3-oxopiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]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-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(3-ketopiperazino)sulfonylbenzoic acid [4-[(E)-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H22N2O8S MolecularWeight: 474.48368

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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)N3CCNC(=O)C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C22H22N2O8S/c1-30-19-12-15(7-9-21(26)31-2)6-8-18(19)32-22(27)16-4-3-5-17(13-16)33(28,29)24-11-10-23-20(25)14-24/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,25)/b9-7+