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

Systemtic Name: (E)-3-(4-methylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-(p-tolyl)prop-2-en-1-one CAS Name: (E)-3-(4-methylphenyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-1-[4-(2-nitrophenyl)sulfonylpiperazino]-3-(p-tolyl)prop-2-en-1-one Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-16-6-8-17(9-7-16)10-11-20(24)21-12-14-22(15-13-21)29(27,28)19-5-3-2-4-18(19)23(25)26/h2-11H,12-15H2,1H3/b11-10+