2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-(2-morpholin-4-ium-4-ylethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-5-[2-(4-morpholin-4-iumyl)ethylamino]-4-oxazolecarbonitrile IUPAC Name: 2-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)-5-(2-morpholin-4-ium-4-ylethylamino)oxazole-4-carbonitrile Formula: C21H28N5O5S+ MolecularWeight: 462.54252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(O2)NCC[NH+]3CCOCC3)C#N)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(O2)NCC[NH+]3CCOCC3)C#N)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H27N5O5S/c1-29-18-5-4-16(14-19(18)32(27,28)26-7-2-3-8-26)20-24-17(15-22)21(31-20)23-6-9-25-10-12-30-13-11-25/h4-5,14,23H,2-3,6-13H2,1H3/p+1