2-[3-[methylsulfonyl(3-phenylpropyl)amino]propyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[3-[methylsulfonyl(3-phenylpropyl)amino]propyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-[methylsulfonyl(3-phenylpropyl)amino]propyl]thiazole-4-carboxylic acid CAS Name: 2-[3-[methylsulfonyl(3-phenylpropyl)amino]propyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-[methylsulfonyl(3-phenylpropyl)amino]propyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-[mesyl(3-phenylpropyl)amino]propyl]thiazole-4-carboxylic acid Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=CC=CC=C1)CCCC2=NC(=CS2)C(=O)O

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC=CC=C1)CCCC2=NC(=CS2)C(=O)O

InChI

InChI=1S/C17H22N2O4S2/c1-25(22,23)19(11-5-9-14-7-3-2-4-8-14)12-6-10-16-18-15(13-24-16)17(20)21/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,20,21)