ethanedioic acid; 2-methyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

Systemtic Name: ethanedioic acid; 2-methyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole Openeye Name: 2-methyl-4-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]thiazole; oxalic acid CAS Name: 2-methyl-4-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]thiazole; oxalic acid IUPAC Name: 2-methyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole; oxalic acid Traditional Name: 2-methyl-4-[[4-(2-thienylsulfonyl)piperazino]methyl]thiazole; oxalic acid Formula: C15H19N3O6S3 MolecularWeight: 433.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H17N3O2S3.C2H2O4/c1-11-14-12(10-20-11)9-15-4-6-16(7-5-15)21(17,18)13-3-2-8-19-13;3-1(4)2(5)6/h2-3,8,10H,4-7,9H2,1H3;(H,3,4)(H,5,6)