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

Systemtic Name: ethyl 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate Openeye Name: ethyl 4-(3-oxopiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(3-ketopiperazino)sulfonylbenzoic acid ethyl ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C13H16N2O5S/c1-2-20-13(17)10-3-5-11(6-4-10)21(18,19)15-8-7-14-12(16)9-15/h3-6H,2,7-9H2,1H3,(H,14,16)