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

Systemtic Name: (E)-3-(4-bromophenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-bromophenyl)prop-2-en-1-one CAS Name: (E)-3-(4-bromophenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-bromophenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylsulfonylpiperazino)-3-(4-bromophenyl)prop-2-en-1-one Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3S/c21-19-9-6-17(7-10-19)8-11-20(24)22-12-14-23(15-13-22)27(25,26)16-18-4-2-1-3-5-18/h1-11H,12-16H2/b11-8+