5-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotoyl]amino]isophthalamide Formula: C21H23N5O7S MolecularWeight: 489.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

InChI

InChI=1S/C21H23N5O7S/c1-12-2-3-17(26(30)31)11-18(12)34(32,33)25-6-4-13(5-7-25)21(29)24-16-9-14(19(22)27)8-15(10-16)20(23)28/h2-3,8-11,13H,4-7H2,1H3,(H2,22,27)(H2,23,28)(H,24,29)