N-ethyl-4-methyl-1,3-thiazole-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid

Systemtic Name: N-ethyl-4-methyl-1,3-thiazole-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Openeye Name: N-ethyl-4-methyl-thiazole-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid CAS Name: N-ethyl-4-methyl-2-thiazolesulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid IUPAC Name: N-ethyl-4-methyl-1,3-thiazole-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Traditional Name: N-ethyl-4-methyl-thiazole-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=NC(=CS1)C.CC1=C(C(=C(C(=C1)C(=O)O)COC2=CC=CC=C2)C)C

Isomeric SMILES

CCNS(=O)(=O)C1=NC(=CS1)C.CC1=C(C(=C(C(=C1)C(=O)O)COC2=CC=CC=C2)C)C

InChI

InChI=1S/C17H18O3.C6H10N2O2S2/c1-11-9-15(17(18)19)16(13(3)12(11)2)10-20-14-7-5-4-6-8-14;1-3-7-12(9,10)6-8-5(2)4-11-6/h4-9H,10H2,1-3H3,(H,18,19);4,7H,3H2,1-2H3