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

Systemtic Name: 3-(3-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-methylphenoxy)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(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)OCCC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-19-6-5-9-21(18-19)28-16-10-22(25)23-12-14-24(15-13-23)29(26,27)17-11-20-7-3-2-4-8-20/h2-9,11,17-18H,10,12-16H2,1H3/b17-11+