(E)-3-(4-nitrophenyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-nitrophenyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-nitrophenyl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-nitrophenyl)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-nitrophenyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-nitrophenyl)-1-[4-[(E)-styryl]sulfonylpiperazino]prop-2-en-1-one Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c25-21(11-8-19-6-9-20(10-7-19)24(26)27)22-13-15-23(16-14-22)30(28,29)17-12-18-4-2-1-3-5-18/h1-12,17H,13-16H2/b11-8+,17-12+