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

Systemtic Name: (E)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenyl)-2-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3-nitrophenyl)-2-phenyl-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(3-nitrophenyl)-2-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenyl)-2-phenylprop-2-en-1-one Traditional Name: (E)-3-(3-nitrophenyl)-2-phenyl-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C26H25N3O5S MolecularWeight: 491.5588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5S/c1-20-10-12-24(13-11-20)35(33,34)28-16-14-27(15-17-28)26(30)25(22-7-3-2-4-8-22)19-21-6-5-9-23(18-21)29(31)32/h2-13,18-19H,14-17H2,1H3/b25-19+