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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OC)S(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OC)S(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H24N2O4S2/c1-3-4-7-13-23(14-20-22-18(15-28-20)21(24)27-2)29(25,26)19-12-8-10-16-9-5-6-11-17(16)19/h5-6,8-12,15H,3-4,7,13-14H2,1-2H3