N-[2-(2-methoxyethoxy)-5-piperidin-1-ylsulfonyl-phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-(2-methoxyethoxy)-5-piperidin-1-ylsulfonyl-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[2-(2-methoxyethoxy)-5-(1-piperidylsulfonyl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[2-(2-methoxyethoxy)-5-(1-piperidinylsulfonyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(2-methoxyethoxy)-5-piperidin-1-ylsulfonylphenyl]-3,5-dinitrobenzamide Traditional Name: N-[2-(2-methoxyethoxy)-5-piperidinosulfonyl-phenyl]-3,5-dinitro-benzamide Formula: C21H24N4O9S MolecularWeight: 508.50166

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O9S/c1-33-9-10-34-20-6-5-18(35(31,32)23-7-3-2-4-8-23)14-19(20)22-21(26)15-11-16(24(27)28)13-17(12-15)25(29)30/h5-6,11-14H,2-4,7-10H2,1H3,(H,22,26)