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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[2-(4-methoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[2-(4-methoxyphenyl)ethylamino]oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[2-(4-methoxyphenyl)ethylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[2-(4-methoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[2-(4-methoxyphenyl)ethylamino]oxazole-4-carbonitrile Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

InChI

InChI=1S/C25H28N4O4S/c1-32-21-10-6-19(7-11-21)14-15-27-25-23(18-26)28-24(33-25)20-8-12-22(13-9-20)34(30,31)29-16-4-2-3-5-17-29/h6-13,27H,2-5,14-17H2,1H3