3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]-4-(naphthalen-2-yloxymethyl)-5-(propan-2-ylamino)benzoic acid

Systemtic Name: 3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]-4-(naphthalen-2-yloxymethyl)-5-(propan-2-ylamino)benzoic acid Openeye Name: 5-(isopropylamino)-3-methyl-2-(4-methylthiazol-2-yl)sulfonyl-4-(2-naphthyloxymethyl)benzoic acid CAS Name: 3-methyl-2-[(4-methyl-2-thiazolyl)sulfonyl]-4-(2-naphthalenyloxymethyl)-5-(propan-2-ylamino)benzoic acid IUPAC Name: 3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]-4-(naphthalen-2-yloxymethyl)-5-(propan-2-ylamino)benzoic acid Traditional Name: 5-(isopropylamino)-3-methyl-2-(4-methylthiazol-2-yl)sulfonyl-4-(2-naphthoxymethyl)benzoic acid Formula: C26H26N2O5S2 MolecularWeight: 510.62504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)S(=O)(=O)C2=C(C(=C(C=C2C(=O)O)NC(C)C)COC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CSC(=N1)S(=O)(=O)C2=C(C(=C(C=C2C(=O)O)NC(C)C)COC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C26H26N2O5S2/c1-15(2)27-23-12-21(25(29)30)24(35(31,32)26-28-16(3)14-34-26)17(4)22(23)13-33-20-10-9-18-7-5-6-8-19(18)11-20/h5-12,14-15,27H,13H2,1-4H3,(H,29,30)