5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[4-(1-piperidylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[4-(1-piperidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(homoveratrylamino)-2-(4-piperidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C#N)OC

InChI

InChI=1S/C25H28N4O5S/c1-32-22-11-6-18(16-23(22)33-2)12-13-27-25-21(17-26)28-24(34-25)19-7-9-20(10-8-19)35(30,31)29-14-4-3-5-15-29/h6-11,16,27H,3-5,12-15H2,1-2H3