N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-propan-2-ylsulfonylphenyl)ethanamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-isopropylsulfonylphenyl)acetamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-isopropylsulfonylphenyl)acetamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C27H32N4O3S/c1-20(2)35(33,34)24-12-10-21(11-13-24)18-27(32)28-23-9-7-8-22(19-23)25-14-15-26(30-29-25)31-16-5-3-4-6-17-31/h7-15,19-20H,3-6,16-18H2,1-2H3,(H,28,32)