4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole; ethanedioic acid

Systemtic Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole; ethanedioic acid Openeye Name: 4-[(4-indan-5-ylsulfonylpiperazin-1-yl)methyl]-2-methyl-thiazole; oxalic acid CAS Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]methyl]-2-methylthiazole; oxalic acid IUPAC Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole; oxalic acid Traditional Name: 4-[(4-indan-5-ylsulfonylpiperazino)methyl]-2-methyl-thiazole; oxalic acid Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O2S2.C2H2O4/c1-14-19-17(13-24-14)12-20-7-9-21(10-8-20)25(22,23)18-6-5-15-3-2-4-16(15)11-18;3-1(4)2(5)6/h5-6,11,13H,2-4,7-10,12H2,1H3;(H,3,4)(H,5,6)