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

Systemtic Name: (E)-3-(2-bromanyl-4-methyl-phenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(2-bromo-4-methyl-phenyl)prop-2-en-1-one CAS Name: (E)-3-(2-bromo-4-methylphenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(2-bromo-4-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylsulfonylpiperazino)-3-(2-bromo-4-methyl-phenyl)prop-2-en-1-one Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3S/c1-17-7-8-19(20(22)15-17)9-10-21(25)23-11-13-24(14-12-23)28(26,27)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b10-9+