N-(2-chloranyl-5-nitro-phenyl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-chloro-5-nitro-phenyl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(2-chloro-5-nitrophenyl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-chloro-5-nitrophenyl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(2-chloro-5-nitro-phenyl)benzamide Formula: C19H19ClN4O6S MolecularWeight: 466.89536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN4O6S/c1-13(25)22-7-9-23(10-8-22)31(29,30)16-4-2-3-14(11-16)19(26)21-18-12-15(24(27)28)5-6-17(18)20/h2-6,11-12H,7-10H2,1H3,(H,21,26)