4-ethanoyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-ethanoyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-1H-pyrrole-2-carboxamide Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O6S/c1-10(21)11-7-14(19-9-11)16(22)18-6-5-17-13-4-3-12(27(2,25)26)8-15(13)20(23)24/h3-4,7-9,17,19H,5-6H2,1-2H3,(H,18,22)