2-chloranyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[4-(4-methylpiperazino)sulfonylphenyl]-5-nitro-benzamide Formula: C18H19ClN4O5S MolecularWeight: 438.88526

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN4O5S/c1-21-8-10-22(11-9-21)29(27,28)15-5-2-13(3-6-15)20-18(24)16-12-14(23(25)26)4-7-17(16)19/h2-7,12H,8-11H2,1H3,(H,20,24)