2-(2-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-(phenylsulfonyl)-1,3-oxazol-5-amine

Systemtic Name: 2-(2-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-(phenylsulfonyl)-1,3-oxazol-5-amine Openeye Name: 4-(benzenesulfonyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-(o-tolyl)oxazol-5-amine CAS Name: 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-5-oxazolamine IUPAC Name: 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-oxazol-5-amine Traditional Name: [4-besyl-2-(o-tolyl)oxazol-5-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(O2)NCCC[NH+]3CCOCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(O2)NCCC[NH+]3CCOCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S/c1-18-8-5-6-11-20(18)21-25-23(31(27,28)19-9-3-2-4-10-19)22(30-21)24-12-7-13-26-14-16-29-17-15-26/h2-6,8-11,24H,7,12-17H2,1H3/p+1