(E)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-imidazol-1-ylphenyl)-1-(4-indan-5-ylsulfonylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-3-[4-(1-imidazolyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-imidazol-1-ylphenyl)-1-(4-indan-5-ylsulfonylpiperazino)prop-2-en-1-one Formula: C25H26N4O3S MolecularWeight: 462.56394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C=CC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)/C=C/C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C25H26N4O3S/c30-25(11-6-20-4-8-23(9-5-20)28-13-12-26-19-28)27-14-16-29(17-15-27)33(31,32)24-10-7-21-2-1-3-22(21)18-24/h4-13,18-19H,1-3,14-17H2/b11-6+