(5-nitrothiophen-2-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-nitrothiophen-2-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (5-nitro-2-thienyl)-[4-[(E)-styryl]sulfonylpiperazin-1-yl]methanone CAS Name: (5-nitro-2-thiophenyl)-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-nitrothiophen-2-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (5-nitro-2-thienyl)-[4-[(E)-styryl]sulfonylpiperazino]methanone Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(S2)[N+](=O)[O-])S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(S2)[N+](=O)[O-])S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O5S2/c21-17(15-6-7-16(26-15)20(22)23)18-9-11-19(12-10-18)27(24,25)13-8-14-4-2-1-3-5-14/h1-8,13H,9-12H2/b13-8+