2-(3-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(3-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(3-methylphenoxy)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(3-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(3-methylphenoxy)-1-[4-[(E)-styryl]sulfonylpiperazino]propan-1-one Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-18-7-6-10-21(17-18)28-19(2)22(25)23-12-14-24(15-13-23)29(26,27)16-11-20-8-4-3-5-9-20/h3-11,16-17,19H,12-15H2,1-2H3/b16-11+