3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-5-(4-morpholinylsulfonyl)-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione Formula: C22H27N4O5S2+ MolecularWeight: 491.60358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S)C5=CC=C(C=C5)O

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S)C5=CC=C(C=C5)O

InChI

InChI=1S/C22H26N4O5S2/c27-18-3-1-17(2-4-18)24-9-7-23(8-10-24)16-26-20-15-19(5-6-21(20)31-22(26)32)33(28,29)25-11-13-30-14-12-25/h1-6,15,27H,7-14,16H2/p+1