(E)-3-(3-bromophenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromophenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-bromophenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-bromophenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-bromophenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-bromophenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H23BrN2O5S/c1-28-18-7-8-19(29-2)20(15-18)30(26,27)24-12-10-23(11-13-24)21(25)9-6-16-4-3-5-17(22)14-16/h3-9,14-15H,10-13H2,1-2H3/b9-6+