N-(2-methyl-3-nitro-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methyl-3-nitrophenyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H22N4O7S MolecularWeight: 462.47628

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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=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O7S/c1-13-6-7-16(23(26)27)12-19(13)32(30,31)22-10-8-15(9-11-22)20(25)21-17-4-3-5-18(14(17)2)24(28)29/h3-7,12,15H,8-11H2,1-2H3,(H,21,25)