[4-[4-(4-ethanimidoylpiperazin-1-yl)sulfonylphenyl]phenyl]-(6-imidazol-1-ylpyridin-3-yl)methanone

Systemtic Name: [4-[4-(4-ethanimidoylpiperazin-1-yl)sulfonylphenyl]phenyl]-(6-imidazol-1-ylpyridin-3-yl)methanone Openeye Name: [4-[4-(4-ethanimidoylpiperazin-1-yl)sulfonylphenyl]phenyl]-(6-imidazol-1-yl-3-pyridyl)methanone CAS Name: [6-(1-imidazolyl)-3-pyridinyl]-[4-[4-[[4-(1-iminoethyl)-1-piperazinyl]sulfonyl]phenyl]phenyl]methanone IUPAC Name: [4-[4-(4-ethanimidoylpiperazin-1-yl)sulfonylphenyl]phenyl]-(6-imidazol-1-ylpyridin-3-yl)methanone Traditional Name: [4-[4-(4-acetimidoylpiperazino)sulfonylphenyl]phenyl]-(6-imidazol-1-yl-3-pyridyl)methanone Formula: C27H26N6O3S MolecularWeight: 514.59874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)N5C=CN=C5

Isomeric SMILES

CC(=N)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C27H26N6O3S/c1-20(28)31-14-16-33(17-15-31)37(35,36)25-9-6-22(7-10-25)21-2-4-23(5-3-21)27(34)24-8-11-26(30-18-24)32-13-12-29-19-32/h2-13,18-19,28H,14-17H2,1H3