4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-(o-tolyl)oxazole CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)-5-(4-methyl-1-piperazin-4-iumyl)oxazole IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-(o-tolyl)oxazole Formula: C23H26N3O5S+ MolecularWeight: 456.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(O2)N3CC[NH+](CC3)C)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(O2)N3CC[NH+](CC3)C)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H25N3O5S/c1-16-5-3-4-6-18(16)21-24-22(23(31-21)26-11-9-25(2)10-12-26)32(27,28)17-7-8-19-20(15-17)30-14-13-29-19/h3-8,15H,9-14H2,1-2H3/p+1