(NE)-N-[azanyl(phenyl)methylidene]-4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: (NE)-N-[azanyl(phenyl)methylidene]-4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: (NE)-N-[amino(phenyl)methylene]-4-(4-bromo-2-ethyl-phenyl)sulfonyl-piperazine-1-carboxamide CAS Name: (NE)-N-[amino(phenyl)methylidene]-4-(4-bromo-2-ethylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: (NE)-N-[amino(phenyl)methylidene]-4-(4-bromo-2-ethylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: (NE)-N-[amino(phenyl)methylene]-4-(4-bromo-2-ethyl-phenyl)sulfonyl-piperazine-1-carboxamide Formula: C20H23BrN4O3S MolecularWeight: 479.39062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)C(=O)N=C(C3=CC=CC=C3)N

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)C(=O)/N=C(\C3=CC=CC=C3)/N

InChI

InChI=1S/C20H23BrN4O3S/c1-2-15-14-17(21)8-9-18(15)29(27,28)25-12-10-24(11-13-25)20(26)23-19(22)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3,(H2,22,23,26)