N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-butanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-butanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-butanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-phenyl-butyramide Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S2/c1-12(13-6-4-3-5-7-13)10-17(21)20-18-19-15-9-8-14(25(2,22)23)11-16(15)24-18/h3-9,11-12H,10H2,1-2H3,(H,19,20,21)