methyl 2-[[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[isopentyl(2-naphthylsulfonyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl(2-naphthalenylsulfonyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl(2-naphthylsulfonyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H24N2O4S2/c1-15(2)10-11-23(13-20-22-19(14-28-20)21(24)27-3)29(25,26)18-9-8-16-6-4-5-7-17(16)12-18/h4-9,12,14-15H,10-11,13H2,1-3H3