N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenoxy-butanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenoxy-butanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenoxy-butanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenoxybutanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenoxybutanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-phenoxy-butyramide Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4S2/c1-26(22,23)14-9-10-15-16(12-14)25-18(19-15)20-17(21)8-5-11-24-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,20,21)