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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(1-phenylethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(1-phenylethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(1-phenylethylamino)oxazole-4-carbonitrile Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

InChI

InChI=1S/C24H26N4O3S/c1-18(19-9-5-4-6-10-19)26-24-22(17-25)27-23(31-24)20-11-13-21(14-12-20)32(29,30)28-15-7-2-3-8-16-28/h4-6,9-14,18,26H,2-3,7-8,15-16H2,1H3