3-chloranyl-5-[[5-methyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-pyrazol-4-yl]oxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-[[5-methyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-pyrazol-4-yl]oxy]benzenecarbonitrile Openeye Name: 3-chloro-5-[[5-methyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-pyrazol-4-yl]oxy]benzonitrile CAS Name: 3-chloro-5-[[5-methyl-3-[(4-methylsulfonyl-1-piperazinyl)methyl]-1H-pyrazol-4-yl]oxy]benzonitrile IUPAC Name: 3-chloro-5-[[5-methyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-pyrazol-4-yl]oxy]benzonitrile Traditional Name: 3-chloro-5-[[3-[(4-mesylpiperazino)methyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzonitrile Formula: C17H20ClN5O3S MolecularWeight: 409.8904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)CN2CCN(CC2)S(=O)(=O)C)OC3=CC(=CC(=C3)C#N)Cl

Isomeric SMILES

CC1=C(C(=NN1)CN2CCN(CC2)S(=O)(=O)C)OC3=CC(=CC(=C3)C#N)Cl

InChI

InChI=1S/C17H20ClN5O3S/c1-12-17(26-15-8-13(10-19)7-14(18)9-15)16(21-20-12)11-22-3-5-23(6-4-22)27(2,24)25/h7-9H,3-6,11H2,1-2H3,(H,20,21)