(4-ethylphenyl) 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (4-ethylphenyl) 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate Openeye Name: (4-ethylphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(3-ketopiperazino)sulfonylbenzoic acid (4-ethylphenyl) ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H20N2O5S/c1-2-14-6-8-16(9-7-14)26-19(23)15-4-3-5-17(12-15)27(24,25)21-11-10-20-18(22)13-21/h3-9,12H,2,10-11,13H2,1H3,(H,20,22)