4-ethanoyl-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzenesulfonamide

Systemtic Name: 4-ethanoyl-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzenesulfonamide Openeye Name: 4-acetyl-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzenesulfonamide CAS Name: 4-acetyl-N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[3-(3-ketopiperazino)sulfonylphenyl]benzenesulfonamide Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C18H19N3O6S2/c1-13(22)14-5-7-16(8-6-14)28(24,25)20-15-3-2-4-17(11-15)29(26,27)21-10-9-19-18(23)12-21/h2-8,11,20H,9-10,12H2,1H3,(H,19,23)