2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-morpholinoethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[2-(4-morpholinyl)ethylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-morpholinoethylamino)oxazole-4-carbonitrile Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCN4CCOCC4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCN4CCOCC4)C#N

InChI

InChI=1S/C22H29N5O4S/c23-17-20-22(24-9-12-26-13-15-30-16-14-26)31-21(25-20)18-5-7-19(8-6-18)32(28,29)27-10-3-1-2-4-11-27/h5-8,24H,1-4,9-16H2