4-chloranyl-2-[(3-methylphenoxy)methyl]benzoic acid; 4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide

Systemtic Name: 4-chloranyl-2-[(3-methylphenoxy)methyl]benzoic acid; 4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide Openeye Name: 4-chloro-2-[(3-methylphenoxy)methyl]benzoic acid; N-isobutyl-4-methyl-thiazole-2-sulfonamide CAS Name: 4-chloro-2-[(3-methylphenoxy)methyl]benzoic acid; 4-methyl-N-(2-methylpropyl)-2-thiazolesulfonamide IUPAC Name: 4-chloro-2-[(3-methylphenoxy)methyl]benzoic acid; 4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide Traditional Name: 4-chloro-2-[(3-methylphenoxy)methyl]benzoic acid; N-isobutyl-4-methyl-thiazole-2-sulfonamide Formula: C23H27ClN2O5S2 MolecularWeight: 511.05388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=C(C=CC(=C2)Cl)C(=O)O.CC1=CSC(=N1)S(=O)(=O)NCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=C(C=CC(=C2)Cl)C(=O)O.CC1=CSC(=N1)S(=O)(=O)NCC(C)C

InChI

InChI=1S/C15H13ClO3.C8H14N2O2S2/c1-10-3-2-4-13(7-10)19-9-11-8-12(16)5-6-14(11)15(17)18;1-6(2)4-9-14(11,12)8-10-7(3)5-13-8/h2-8H,9H2,1H3,(H,17,18);5-6,9H,4H2,1-3H3