(E)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-isopropylphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-(4-propan-2-ylphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylsulfonylpiperazino)-3-p-cumenyl-prop-2-en-1-one Formula: C23H28N2O3S MolecularWeight: 412.54502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S/c1-19(2)22-11-8-20(9-12-22)10-13-23(26)24-14-16-25(17-15-24)29(27,28)18-21-6-4-3-5-7-21/h3-13,19H,14-18H2,1-2H3/b13-10+