2-[[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 2-[[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]methyl]benzenecarbonitrile Openeye Name: 2-[[2-(dimethylamino)-5-(1-piperidylsulfonyl)anilino]methyl]benzonitrile CAS Name: 2-[[2-(dimethylamino)-5-(1-piperidinylsulfonyl)anilino]methyl]benzonitrile IUPAC Name: 2-[[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]methyl]benzonitrile Traditional Name: 2-[[2-(dimethylamino)-5-piperidinosulfonyl-anilino]methyl]benzonitrile Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=CC=CC=C3C#N

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H26N4O2S/c1-24(2)21-11-10-19(28(26,27)25-12-6-3-7-13-25)14-20(21)23-16-18-9-5-4-8-17(18)15-22/h4-5,8-11,14,23H,3,6-7,12-13,16H2,1-2H3