2-[[(4-chloranyl-2-methylsulfonyl-phenyl)methylamino]methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(4-chloranyl-2-methylsulfonyl-phenyl)methylamino]methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-chloro-2-methylsulfonyl-phenyl)methylamino]methyl]-N-cyclopropyl-thiazole-4-carboxamide CAS Name: 2-[[(4-chloro-2-methylsulfonylphenyl)methylamino]methyl]-N-cyclopropyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-chloro-2-methylsulfonylphenyl)methylamino]methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-chloro-2-mesyl-benzyl)amino]methyl]-N-cyclopropyl-thiazole-4-carboxamide Formula: C16H18ClN3O3S2 MolecularWeight: 399.91542

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)Cl)CNCC2=NC(=CS2)C(=O)NC3CC3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)Cl)CNCC2=NC(=CS2)C(=O)NC3CC3

InChI

InChI=1S/C16H18ClN3O3S2/c1-25(22,23)14-6-11(17)3-2-10(14)7-18-8-15-20-13(9-24-15)16(21)19-12-4-5-12/h2-3,6,9,12,18H,4-5,7-8H2,1H3,(H,19,21)