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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-dimethylaminoethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-dimethylaminoethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(2-dimethylaminoethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-dimethylaminoethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-dimethylaminoethylamino)oxazole-4-carbonitrile Formula: C20H27N5O3S MolecularWeight: 417.52508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N

Isomeric SMILES

CN(C)CCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N

InChI

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