2,5-dimethyl-N-[4-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[4-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[4-(3-oxopiperazine-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[4-[oxo-(3-oxo-1-piperazinyl)methyl]phenyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[4-(3-oxopiperazine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: N-[4-(3-ketopiperazine-1-carbonyl)phenyl]-2,5-dimethyl-benzenesulfonamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-13-3-4-14(2)17(11-13)27(25,26)21-16-7-5-15(6-8-16)19(24)22-10-9-20-18(23)12-22/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,23)