N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-nitro-1H-pyrrole-2-carboxamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-nitro-1H-pyrrole-2-carboxamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-4-nitro-1H-pyrrole-2-carboxamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-4-nitro-1H-pyrrole-2-carboxamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-nitro-1H-pyrrole-2-carboxamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-4-nitro-1H-pyrrole-2-carboxamide Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CN2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CN2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H20N4O6S/c1-27-15-6-5-12(19-17(22)14-10-13(11-18-14)21(23)24)9-16(15)28(25,26)20-7-3-2-4-8-20/h5-6,9-11,18H,2-4,7-8H2,1H3,(H,19,22)