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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S2/c1-3-14(12-7-5-4-6-8-12)17(21)20-18-19-15-10-9-13(25(2,22)23)11-16(15)24-18/h4-11,14H,3H2,1-2H3,(H,19,20,21)