(E)-3-(4-chlorophenyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-chlorophenyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-chlorophenyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-chlorophenyl)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-chlorophenyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-chlorophenyl)-1-(4-p-phenetylsulfonylpiperazino)prop-2-en-1-one Formula: C21H23ClN2O4S MolecularWeight: 434.93632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-2-28-19-8-10-20(11-9-19)29(26,27)24-15-13-23(14-16-24)21(25)12-5-17-3-6-18(22)7-4-17/h3-12H,2,13-16H2,1H3/b12-5+