N-(4-methoxy-2-piperidin-1-ylsulfonyl-phenyl)-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-(4-methoxy-2-piperidin-1-ylsulfonyl-phenyl)-5-nitro-thiophene-2-carboxamide Openeye Name: N-[4-methoxy-2-(1-piperidylsulfonyl)phenyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[4-methoxy-2-(1-piperidinylsulfonyl)phenyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide Traditional Name: N-(4-methoxy-2-piperidinosulfonyl-phenyl)-5-nitro-thiophene-2-carboxamide Formula: C17H19N3O6S2 MolecularWeight: 425.47926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H19N3O6S2/c1-26-12-5-6-13(18-17(21)14-7-8-16(27-14)20(22)23)15(11-12)28(24,25)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,18,21)