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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenoxy-butanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenoxy-butanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenoxybutanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenoxybutanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-phenoxy-butyramide Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)OC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4S2/c1-3-15(24-12-7-5-4-6-8-12)17(21)20-18-19-14-10-9-13(26(2,22)23)11-16(14)25-18/h4-11,15H,3H2,1-2H3,(H,19,20,21)