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

Systemtic Name: (E)-3-(3-bromophenyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-bromophenyl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-bromophenyl)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-bromophenyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-bromophenyl)-1-[4-[(E)-styryl]sulfonylpiperazino]prop-2-en-1-one Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC(=CC=C2)Br)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC(=CC=C2)Br)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O3S/c22-20-8-4-7-19(17-20)9-10-21(25)23-12-14-24(15-13-23)28(26,27)16-11-18-5-2-1-3-6-18/h1-11,16-17H,12-15H2/b10-9+,16-11+