N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(4-methylpiperazino)sulfonylphenyl]-3,5-dinitro-benzamide Formula: C18H19N5O7S MolecularWeight: 449.43776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O7S/c1-20-6-8-21(9-7-20)31(29,30)17-4-2-14(3-5-17)19-18(24)13-10-15(22(25)26)12-16(11-13)23(27)28/h2-5,10-12H,6-9H2,1H3,(H,19,24)