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

Systemtic Name: 5-[3-(dimethylamino)propylamino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[3-(dimethylamino)propylamino]-2-[4-(1-piperidylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-[3-(dimethylamino)propylamino]-2-[4-(1-piperidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-[3-(dimethylamino)propylamino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-[3-(dimethylamino)propylamino]-2-(4-piperidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C20H27N5O3S MolecularWeight: 417.52508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3S/c1-24(2)12-6-11-22-20-18(15-21)23-19(28-20)16-7-9-17(10-8-16)29(26,27)25-13-4-3-5-14-25/h7-10,22H,3-6,11-14H2,1-2H3