2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazol-5-amine

Systemtic Name: 2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazol-5-amine Openeye Name: 2-ethylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-4-(p-tolylsulfonyl)thiazol-5-amine CAS Name: 2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-5-thiazolamine IUPAC Name: 2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazol-5-amine Traditional Name: (2-esyl-4-tosyl-thiazol-5-yl)-(2-morpholin-4-ium-4-ylethyl)amine Formula: C18H26N3O5S3+ MolecularWeight: 460.61114

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC(=C(S1)NCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC(=C(S1)NCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H25N3O5S3/c1-3-28(22,23)18-20-17(29(24,25)15-6-4-14(2)5-7-15)16(27-18)19-8-9-21-10-12-26-13-11-21/h4-7,19H,3,8-13H2,1-2H3/p+1