(2S)-2-(4-methylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: (2S)-2-(4-methylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: (2S)-2-(4-methylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: (2S)-2-(4-methylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: (2S)-2-(4-methylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: (2S)-N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propionamide Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S2/c1-11-4-6-13(7-5-11)24-12(2)17(21)20-18-19-15-9-8-14(26(3,22)23)10-16(15)25-18/h4-10,12H,1-3H3,(H,19,20,21)/t12-/m0/s1