2-[[[2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonyl-phenyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 2-[[[2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonyl-phenyl]amino]methyl]benzenecarbonitrile Openeye Name: 2-[[2-(4-ethoxyphenoxy)-5-morpholinosulfonyl-anilino]methyl]benzonitrile CAS Name: 2-[[2-(4-ethoxyphenoxy)-5-(4-morpholinylsulfonyl)anilino]methyl]benzonitrile IUPAC Name: 2-[[2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylanilino]methyl]benzonitrile Traditional Name: 2-[[2-(4-ethoxyphenoxy)-5-morpholinosulfonyl-anilino]methyl]benzonitrile Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NCC4=CC=CC=C4C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NCC4=CC=CC=C4C#N

InChI

InChI=1S/C26H27N3O5S/c1-2-33-22-7-9-23(10-8-22)34-26-12-11-24(35(30,31)29-13-15-32-16-14-29)17-25(26)28-19-21-6-4-3-5-20(21)18-27/h3-12,17,28H,2,13-16,19H2,1H3