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

Systemtic Name: 2,3-dimethyl-5-nitro-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzenesulfonamide Openeye Name: 2,3-dimethyl-5-nitro-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzenesulfonamide CAS Name: 2,3-dimethyl-5-nitro-N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]benzenesulfonamide IUPAC Name: 2,3-dimethyl-5-nitro-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzenesulfonamide Traditional Name: N-[3-(3-ketopiperazino)sulfonylphenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C18H20N4O7S2 MolecularWeight: 468.504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O7S2/c1-12-8-15(22(24)25)10-17(13(12)2)30(26,27)20-14-4-3-5-16(9-14)31(28,29)21-7-6-19-18(23)11-21/h3-5,8-10,20H,6-7,11H2,1-2H3,(H,19,23)