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

Systemtic Name: 2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-5-(2-dimethylaminoethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-5-(2-dimethylaminoethylamino)oxazole-4-carbonitrile CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-5-(2-dimethylaminoethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-5-(2-dimethylaminoethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-5-(2-dimethylaminoethylamino)oxazole-4-carbonitrile Formula: C21H29N5O4S MolecularWeight: 447.55106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O4S/c1-25(2)13-10-23-21-17(15-22)24-20(30-21)16-8-9-18(29-3)19(14-16)31(27,28)26-11-6-4-5-7-12-26/h8-9,14,23H,4-7,10-13H2,1-3H3