2-(4-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-(phenylsulfonyl)-1,3-oxazol-5-amine

Systemtic Name: 2-(4-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-(phenylsulfonyl)-1,3-oxazol-5-amine Openeye Name: 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxazol-5-amine CAS Name: 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-oxazolamine IUPAC Name: 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,3-oxazol-5-amine Traditional Name: [4-besyl-2-(4-methoxyphenyl)oxazol-5-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C22H26N3O5S+ MolecularWeight: 444.52394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(O2)NCC[NH+]3CCOCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(O2)NCC[NH+]3CCOCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O5S/c1-28-18-9-7-17(8-10-18)20-24-22(31(26,27)19-5-3-2-4-6-19)21(30-20)23-11-12-25-13-15-29-16-14-25/h2-10,23H,11-16H2,1H3/p+1