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

Systemtic Name: 3-(3-bromophenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(3-bromophenyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 3-(3-bromophenyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(3-bromophenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(3-bromophenyl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrN2O3S/c1-16-5-8-19(9-6-16)27(25,26)23-13-11-22(12-14-23)20(24)10-7-17-3-2-4-18(21)15-17/h2-10,15H,11-14H2,1H3