(E)-3-(2-methyl-1,3-thiazol-4-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2-methyl-1,3-thiazol-4-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2-methylthiazol-4-yl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-methyl-4-thiazolyl)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-methyl-1,3-thiazol-4-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(2-methylthiazol-4-yl)-1-[4-(2-naphthylsulfonyl)piperazino]prop-2-en-1-one Formula: C21H21N3O3S2 MolecularWeight: 427.53974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21N3O3S2/c1-16-22-19(15-28-16)7-9-21(25)23-10-12-24(13-11-23)29(26,27)20-8-6-17-4-2-3-5-18(17)14-20/h2-9,14-15H,10-13H2,1H3/b9-7+