2,5-dimethyl-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzenesulfonamide Traditional Name: N-[3-(3-ketopiperazino)sulfonylphenyl]-2,5-dimethyl-benzenesulfonamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C18H21N3O5S2/c1-13-6-7-14(2)17(10-13)27(23,24)20-15-4-3-5-16(11-15)28(25,26)21-9-8-19-18(22)12-21/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,19,22)