3-[2-azanyl-3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 3-[2-azanyl-3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 3-[2-amino-3-(4-methylsulfonylpiperazin-1-yl)-3-oxo-propyl]benzonitrile CAS Name: 3-[2-amino-3-(4-methylsulfonyl-1-piperazinyl)-3-oxopropyl]benzonitrile IUPAC Name: 3-[2-amino-3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]benzonitrile Traditional Name: 3-[2-amino-3-keto-3-(4-mesylpiperazino)propyl]benzonitrile Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C#N)N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C#N)N

InChI

InChI=1S/C15H20N4O3S/c1-23(21,22)19-7-5-18(6-8-19)15(20)14(17)10-12-3-2-4-13(9-12)11-16/h2-4,9,14H,5-8,10,17H2,1H3