2-[[2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-4-cyano-1,3-oxazol-5-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-4-cyano-1,3-oxazol-5-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-4-cyano-oxazol-5-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-4-cyano-5-oxazolyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-4-cyano-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-4-cyano-oxazol-5-yl]amino]ethyl-dimethyl-ammonium Formula: C21H30N5O4S+ MolecularWeight: 448.559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=C(N=C(O1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)C#N

Isomeric SMILES

C[NH+](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/p+1