(2S)-2-(4-chloranyl-3-methyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: (2S)-2-(4-chloranyl-3-methyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: (2S)-2-(4-chloro-3-methyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: (2S)-2-(4-chloro-3-methylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: (2S)-2-(4-chloro-3-methylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: (2S)-2-(4-chloro-3-methyl-phenoxy)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C18H17ClN2O4S2 MolecularWeight: 424.92158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)O[C@@H](C)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H17ClN2O4S2/c1-10-8-12(4-6-14(10)19)25-11(2)17(22)21-18-20-15-7-5-13(27(3,23)24)9-16(15)26-18/h4-9,11H,1-3H3,(H,20,21,22)/t11-/m0/s1