N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(ethoxymethyl)benzyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOCC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H29N3O6S/c1-3-32-16-20-7-5-4-6-19(20)15-24-23(27)18-10-12-25(13-11-18)33(30,31)22-14-21(26(28)29)9-8-17(22)2/h4-9,14,18H,3,10-13,15-16H2,1-2H3,(H,24,27)