(E)-3-(4-dimethylaminophenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-dimethylaminophenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-dimethylaminophenyl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-dimethylaminophenyl)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-dimethylaminophenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-dimethylaminophenyl)-1-[4-(2-naphthylsulfonyl)piperazino]prop-2-en-1-one Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27N3O3S/c1-26(2)23-11-7-20(8-12-23)9-14-25(29)27-15-17-28(18-16-27)32(30,31)24-13-10-21-5-3-4-6-22(21)19-24/h3-14,19H,15-18H2,1-2H3/b14-9+