5-[3-(diethylamino)propylamino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[3-(diethylamino)propylamino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[3-(diethylamino)propylamino]-2-[4-(1-piperidylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-[3-(diethylamino)propylamino]-2-[4-(1-piperidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-[3-(diethylamino)propylamino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-[3-(diethylamino)propylamino]-2-(4-piperidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C#N

Isomeric SMILES

CCN(CC)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C#N

InChI

InChI=1S/C22H31N5O3S/c1-3-26(4-2)14-8-13-24-22-20(17-23)25-21(30-22)18-9-11-19(12-10-18)31(28,29)27-15-6-5-7-16-27/h9-12,24H,3-8,13-16H2,1-2H3