3-(3-nitrophenyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(3-nitrophenyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(3-nitrophenyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: 3-(3-nitrophenyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(3-nitrophenyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(3-nitrophenyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C23H27N3O5S/c1-16-14-17(2)19(4)23(18(16)3)32(30,31)25-12-10-24(11-13-25)22(27)9-8-20-6-5-7-21(15-20)26(28)29/h5-9,14-15H,10-13H2,1-4H3