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

Systemtic Name: 4-ethoxy-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzenesulfonamide CAS Name: 4-ethoxy-N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[3-(3-ketopiperazino)sulfonylphenyl]benzenesulfonamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C18H21N3O6S2/c1-2-27-15-6-8-16(9-7-15)28(23,24)20-14-4-3-5-17(12-14)29(25,26)21-11-10-19-18(22)13-21/h3-9,12,20H,2,10-11,13H2,1H3,(H,19,22)