N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfonylphenyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-isopropylsulfonylphenyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C19H19N3O6S2 MolecularWeight: 449.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N3O6S2/c1-11(2)30(26,27)14-6-4-12(5-7-14)8-17(23)20-19-21-18-15(28-3)9-13(22(24)25)10-16(18)29-19/h4-7,9-11H,8H2,1-3H3,(H,20,21,23)