4-methyl-3,5-dinitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-methyl-3,5-dinitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-methyl-3,5-dinitro-N-[4-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 4-methyl-3,5-dinitro-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-methyl-3,5-dinitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-methyl-3,5-dinitro-N-(4-piperidinosulfonylphenyl)benzamide Formula: C19H20N4O7S MolecularWeight: 448.4497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O7S/c1-13-17(22(25)26)11-14(12-18(13)23(27)28)19(24)20-15-5-7-16(8-6-15)31(29,30)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,24)