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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O5S/c1-28-18-12-16(13-19(15-18)29-2)6-7-21(25)23-8-10-24(11-9-23)30(26,27)20-5-3-4-17(22)14-20/h3-7,12-15H,8-11H2,1-2H3/b7-6+