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

Systemtic Name: 4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-4-ium-1-yl)-2-propylsulfonyl-1,3-thiazole Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-propylsulfonyl-4-(p-tolylsulfonyl)thiazole CAS Name: 4-(4-methylphenyl)sulfonyl-5-(4-methyl-1-piperazin-4-iumyl)-2-propylsulfonylthiazole IUPAC Name: 4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-4-ium-1-yl)-2-propylsulfonyl-1,3-thiazole Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-propylsulfonyl-4-tosyl-thiazole Formula: C18H26N3O4S3+ MolecularWeight: 444.61174

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC(=C(S1)N2CC[NH+](CC2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCS(=O)(=O)C1=NC(=C(S1)N2CC[NH+](CC2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H25N3O4S3/c1-4-13-27(22,23)18-19-16(17(26-18)21-11-9-20(3)10-12-21)28(24,25)15-7-5-14(2)6-8-15/h5-8H,4,9-13H2,1-3H3/p+1