4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide; 3-methyl-2-(naphthalen-2-yloxymethyl)benzoic acid

Systemtic Name: 4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide; 3-methyl-2-(naphthalen-2-yloxymethyl)benzoic acid Openeye Name: N-isobutyl-4-methyl-thiazole-2-sulfonamide; 3-methyl-2-(2-naphthyloxymethyl)benzoic acid CAS Name: 4-methyl-N-(2-methylpropyl)-2-thiazolesulfonamide; 3-methyl-2-(2-naphthalenyloxymethyl)benzoic acid IUPAC Name: 4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide; 3-methyl-2-(naphthalen-2-yloxymethyl)benzoic acid Traditional Name: N-isobutyl-4-methyl-thiazole-2-sulfonamide; 3-methyl-2-(2-naphthoxymethyl)benzoic acid Formula: C27H30N2O5S2 MolecularWeight: 526.6675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1COC2=CC3=CC=CC=C3C=C2)C(=O)O.CC1=CSC(=N1)S(=O)(=O)NCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1COC2=CC3=CC=CC=C3C=C2)C(=O)O.CC1=CSC(=N1)S(=O)(=O)NCC(C)C

InChI

InChI=1S/C19H16O3.C8H14N2O2S2/c1-13-5-4-8-17(19(20)21)18(13)12-22-16-10-9-14-6-2-3-7-15(14)11-16;1-6(2)4-9-14(11,12)8-10-7(3)5-13-8/h2-11H,12H2,1H3,(H,20,21);5-6,9H,4H2,1-3H3