5-(4-ethylpiperazin-4-ium-1-yl)-2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazole

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazole Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-ethylsulfonyl-4-(p-tolylsulfonyl)thiazole CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-ethylsulfonyl-4-(4-methylphenyl)sulfonylthiazole IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazole Traditional Name: 2-esyl-5-(4-ethylpiperazin-4-ium-1-yl)-4-tosyl-thiazole Formula: C18H26N3O4S3+ MolecularWeight: 444.61174

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(S2)S(=O)(=O)CC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(N=C(S2)S(=O)(=O)CC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H25N3O4S3/c1-4-20-10-12-21(13-11-20)17-16(19-18(26-17)27(22,23)5-2)28(24,25)15-8-6-14(3)7-9-15/h6-9H,4-5,10-13H2,1-3H3/p+1