N-[[2-(methoxymethyl)phenyl]methyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[2-(methoxymethyl)phenyl]methyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[2-(methoxymethyl)phenyl]methyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[[2-(methoxymethyl)phenyl]methyl]-1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[2-(methoxymethyl)phenyl]methyl]-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(methoxymethyl)benzyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3COC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3COC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c1-23-20-8-7-19(13-21(20)26(28)29)33(30,31)25-11-9-16(10-12-25)22(27)24-14-17-5-3-4-6-18(17)15-32-2/h3-8,13,16,23H,9-12,14-15H2,1-2H3,(H,24,27)