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

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylsulfonylpiperazino)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-28-20-14-19(15-21(16-20)29-2)8-9-22(25)23-10-12-24(13-11-23)30(26,27)17-18-6-4-3-5-7-18/h3-9,14-16H,10-13,17H2,1-2H3/b9-8+