(E)-3-(3-methoxy-4-propoxy-phenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-methoxy-4-propoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-methoxy-4-propoxyphenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C24H30N2O5S/c1-4-17-31-22-11-7-20(18-23(22)30-3)8-12-24(27)25-13-15-26(16-14-25)32(28,29)21-9-5-19(2)6-10-21/h5-12,18H,4,13-17H2,1-3H3/b12-8+