6-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 6-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 6-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 6-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 6-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCCN(CC3)C4=NN(C(=O)C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCCN(CC3)C4=NN(C(=O)C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N4O3S/c32-27-17-16-26(28-31(27)24-10-5-2-6-11-24)29-18-7-19-30(21-20-29)35(33,34)25-14-12-23(13-15-25)22-8-3-1-4-9-22/h2,5-6,10-17,22H,1,3-4,7-9,18-21H2