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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-methoxyethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-methoxyethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(2-methoxyethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-methoxyethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-methoxyethylamino)oxazole-4-carbonitrile Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N

Isomeric SMILES

COCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N

InChI

InChI=1S/C19H24N4O4S/c1-26-13-10-21-19-17(14-20)22-18(27-19)15-6-8-16(9-7-15)28(24,25)23-11-4-2-3-5-12-23/h6-9,21H,2-5,10-13H2,1H3