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

Systemtic Name: N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Openeye Name: N-(cyclopropylmethyl)-4-methyl-thiazole-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid CAS Name: N-(cyclopropylmethyl)-4-methyl-2-thiazolesulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid IUPAC Name: N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Traditional Name: N-(cyclopropylmethyl)-4-methyl-thiazole-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Formula: C25H30N2O5S2 MolecularWeight: 502.6461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)O)COC2=CC=CC=C2)C)C.CC1=CSC(=N1)S(=O)(=O)NCC2CC2

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)O)COC2=CC=CC=C2)C)C.CC1=CSC(=N1)S(=O)(=O)NCC2CC2

InChI

InChI=1S/C17H18O3.C8H12N2O2S2/c1-11-9-15(17(18)19)16(13(3)12(11)2)10-20-14-7-5-4-6-8-14;1-6-5-13-8(10-6)14(11,12)9-4-7-2-3-7/h4-9H,10H2,1-3H3,(H,18,19);5,7,9H,2-4H2,1H3