4-methyl-3-nitro-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzamide CAS Name: 4-methyl-3-nitro-N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzamide Traditional Name: N-[3-(3-ketopiperazino)sulfonylphenyl]-4-methyl-3-nitro-benzamide Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S/c1-12-5-6-13(9-16(12)22(25)26)18(24)20-14-3-2-4-15(10-14)29(27,28)21-8-7-19-17(23)11-21/h2-6,9-10H,7-8,11H2,1H3,(H,19,23)(H,20,24)