(4-imidazol-1-yl-3-nitro-phenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-[(E)-styryl]sulfonylpiperazin-1-yl]methanone CAS Name: [4-(1-imidazolyl)-3-nitrophenyl]-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-imidazol-1-yl-3-nitrophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-[(E)-styryl]sulfonylpiperazino]methanone Formula: C22H21N5O5S MolecularWeight: 467.49764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O5S/c28-22(19-6-7-20(21(16-19)27(29)30)25-10-9-23-17-25)24-11-13-26(14-12-24)33(31,32)15-8-18-4-2-1-3-5-18/h1-10,15-17H,11-14H2/b15-8+