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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfonylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-isopropylsulfonylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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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(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S2/c1-11(2)28(25,26)14-6-3-12(4-7-14)9-17(22)20-18-19-15-8-5-13(21(23)24)10-16(15)27-18/h3-8,10-11H,9H2,1-2H3,(H,19,20,22)