(NE)-N-[azanyl(phenyl)methylidene]-4-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: (NE)-N-[azanyl(phenyl)methylidene]-4-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: (NE)-N-[amino(phenyl)methylene]-4-(3-fluoro-4-methoxy-phenyl)sulfonyl-piperazine-1-carboxamide CAS Name: (NE)-N-[amino(phenyl)methylidene]-4-(3-fluoro-4-methoxyphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: (NE)-N-[amino(phenyl)methylidene]-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: (NE)-N-[amino(phenyl)methylene]-4-(3-fluoro-4-methoxy-phenyl)sulfonyl-piperazine-1-carboxamide Formula: C19H21FN4O4S MolecularWeight: 420.457843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N=C(C3=CC=CC=C3)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/N=C(\C3=CC=CC=C3)/N)F

InChI

InChI=1S/C19H21FN4O4S/c1-28-17-8-7-15(13-16(17)20)29(26,27)24-11-9-23(10-12-24)19(25)22-18(21)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,21,22,25)