(2-propoxyphenyl) 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (2-propoxyphenyl) 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate Openeye Name: (2-propoxyphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid (2-propoxyphenyl) ester IUPAC Name: (2-propoxyphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(3-ketopiperazino)sulfonylbenzoic acid (2-propoxyphenyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCCOC1=CC=CC=C1OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C20H22N2O6S/c1-2-12-27-17-8-3-4-9-18(17)28-20(24)15-6-5-7-16(13-15)29(25,26)22-11-10-21-19(23)14-22/h3-9,13H,2,10-12,14H2,1H3,(H,21,23)