4-chloranyl-6-[[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 4-chloranyl-6-[[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[(5-morpholinosulfonyl-2-pyrrolidin-1-yl-anilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)anilino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[(5-morpholinosulfonyl-2-pyrrolidino-anilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H23ClN4O6S MolecularWeight: 494.94852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H23ClN4O6S/c22-16-11-15(21(27)20(12-16)26(28)29)14-23-18-13-17(3-4-19(18)24-5-1-2-6-24)33(30,31)25-7-9-32-10-8-25/h3-4,11-14,23H,1-2,5-10H2