4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfonyl-1,3-thiazole

Systemtic Name: 4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfonyl-1,3-thiazole Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfonyl-4-(p-tolylsulfonyl)thiazole CAS Name: 4-(4-methylphenyl)sulfonyl-5-(4-methyl-1-piperazin-4-iumyl)-2-methylsulfonylthiazole IUPAC Name: 4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfonyl-1,3-thiazole Traditional Name: 2-mesyl-5-(4-methylpiperazin-4-ium-1-yl)-4-tosyl-thiazole Formula: C16H22N3O4S3+ MolecularWeight: 416.55858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H21N3O4S3/c1-12-4-6-13(7-5-12)26(22,23)14-15(19-10-8-18(2)9-11-19)24-16(17-14)25(3,20)21/h4-7H,8-11H2,1-3H3/p+1