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

Systemtic Name: 3-methyl-5-(2-methylpropylamino)-2-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]-4-(naphthalen-2-yloxymethyl)benzoic acid Openeye Name: 5-(isobutylamino)-3-methyl-2-(4-methylthiazol-2-yl)sulfonyl-4-(2-naphthyloxymethyl)benzoic acid CAS Name: 3-methyl-5-(2-methylpropylamino)-2-[(4-methyl-2-thiazolyl)sulfonyl]-4-(2-naphthalenyloxymethyl)benzoic acid IUPAC Name: 3-methyl-5-(2-methylpropylamino)-2-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]-4-(naphthalen-2-yloxymethyl)benzoic acid Traditional Name: 5-(isobutylamino)-3-methyl-2-(4-methylthiazol-2-yl)sulfonyl-4-(2-naphthoxymethyl)benzoic acid Formula: C27H28N2O5S2 MolecularWeight: 524.65162

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H28N2O5S2/c1-16(2)13-28-24-12-22(26(30)31)25(36(32,33)27-29-17(3)15-35-27)18(4)23(24)14-34-21-10-9-19-7-5-6-8-20(19)11-21/h5-12,15-16,28H,13-14H2,1-4H3,(H,30,31)