2-(4-chlorophenyl)-6-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one

Systemtic Name: 2-(4-chlorophenyl)-6-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 2-(4-chlorophenyl)-6-[4-(4-isopropylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-(4-chlorophenyl)-6-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 2-(4-chlorophenyl)-6-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 2-(4-chlorophenyl)-6-(4-p-cumenylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Formula: C24H27ClN4O3S MolecularWeight: 487.01418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4O3S/c1-18(2)19-4-10-22(11-5-19)33(31,32)28-15-3-14-27(16-17-28)23-12-13-24(30)29(26-23)21-8-6-20(25)7-9-21/h4-13,18H,3,14-17H2,1-2H3