4-[[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[2-isopropoxy-5-(1-piperidylsulfonyl)anilino]methyl]benzonitrile CAS Name: 4-[[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyanilino]methyl]benzonitrile IUPAC Name: 4-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)methyl]benzonitrile Traditional Name: 4-[(2-isopropoxy-5-piperidinosulfonyl-anilino)methyl]benzonitrile Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H27N3O3S/c1-17(2)28-22-11-10-20(29(26,27)25-12-4-3-5-13-25)14-21(22)24-16-19-8-6-18(15-23)7-9-19/h6-11,14,17,24H,3-5,12-13,16H2,1-2H3