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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-methoxypropylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(3-methoxypropylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-methoxypropylamino)oxazole-4-carbonitrile Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N

Isomeric SMILES

COCCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N

InChI

InChI=1S/C20H26N4O4S/c1-27-14-6-11-22-20-18(15-21)23-19(28-20)16-7-9-17(10-8-16)29(25,26)24-12-4-2-3-5-13-24/h7-10,22H,2-6,11-14H2,1H3