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

Systemtic Name: (E)-3-(3-bromophenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(3-bromophenyl)prop-2-en-1-one CAS Name: (E)-3-(3-bromophenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(3-bromophenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylsulfonylpiperazino)-3-(3-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(=CC=C2)Br)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3S/c21-19-8-4-7-17(15-19)9-10-20(24)22-11-13-23(14-12-22)27(25,26)16-18-5-2-1-3-6-18/h1-10,15H,11-14,16H2/b10-9+