2-chloranyl-6-[4-(4-methylpiperazin-1-yl)sulfonylphenoxy]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[4-(4-methylpiperazin-1-yl)sulfonylphenoxy]benzenecarbonitrile Openeye Name: 2-chloro-6-[4-(4-methylpiperazin-1-yl)sulfonylphenoxy]benzonitrile CAS Name: 2-chloro-6-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenoxy]benzonitrile IUPAC Name: 2-chloro-6-[4-(4-methylpiperazin-1-yl)sulfonylphenoxy]benzonitrile Traditional Name: 2-chloro-6-[4-(4-methylpiperazino)sulfonylphenoxy]benzonitrile Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N

InChI

InChI=1S/C18H18ClN3O3S/c1-21-9-11-22(12-10-21)26(23,24)15-7-5-14(6-8-15)25-18-4-2-3-17(19)16(18)13-20/h2-8H,9-12H2,1H3