4-chloranyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-(4-methylpiperazino)sulfonylphenyl]-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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