4-chloranyl-N-[2-(3-morpholin-4-ylsulfonylphenyl)-3H-isoindol-1-ylidene]-2-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-(3-morpholin-4-ylsulfonylphenyl)-3H-isoindol-1-ylidene]-2-nitro-benzamide Openeye Name: 4-chloro-N-[2-(3-morpholinosulfonylphenyl)isoindolin-1-ylidene]-2-nitro-benzamide CAS Name: 4-chloro-N-[2-[3-(4-morpholinylsulfonyl)phenyl]-3H-isoindol-1-ylidene]-2-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(3-morpholin-4-ylsulfonylphenyl)-3H-isoindol-1-ylidene]-2-nitrobenzamide Traditional Name: 4-chloro-N-[2-(3-morpholinosulfonylphenyl)isoindolin-1-ylidene]-2-nitro-benzamide Formula: C25H21ClN4O6S MolecularWeight: 540.97544

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)N3CC4=CC=CC=C4C3=NC(=O)C5=C(C=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)N3CC4=CC=CC=C4C3=NC(=O)C5=C(C=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H21ClN4O6S/c26-18-8-9-22(23(14-18)30(32)33)25(31)27-24-21-7-2-1-4-17(21)16-29(24)19-5-3-6-20(15-19)37(34,35)28-10-12-36-13-11-28/h1-9,14-15H,10-13,16H2