1-[4-[4-[4-(6-imidazol-1-ylpyridin-3-yl)carbonylphenyl]phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[4-[4-(6-imidazol-1-ylpyridin-3-yl)carbonylphenyl]phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[4-[4-(6-imidazol-1-ylpyridine-3-carbonyl)phenyl]phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[4-[4-[[6-(1-imidazolyl)-3-pyridinyl]-oxomethyl]phenyl]phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[4-[4-(6-imidazol-1-ylpyridine-3-carbonyl)phenyl]phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[4-[4-(6-imidazol-1-ylnicotinoyl)phenyl]phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C28H27N5O4S MolecularWeight: 529.61008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(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(=O)N1CCCN(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/C28H27N5O4S/c1-21(34)31-14-2-15-33(18-17-31)38(36,37)26-10-7-23(8-11-26)22-3-5-24(6-4-22)28(35)25-9-12-27(30-19-25)32-16-13-29-20-32/h3-13,16,19-20H,2,14-15,17-18H2,1H3