N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonyl-benzamide Openeye Name: 4-isopropylsulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonylbenzamide Traditional Name: 4-isopropylsulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6S2/c1-10(2)29(25,26)13-6-4-11(5-7-13)17(22)20-18-19-16-14(27-3)8-12(21(23)24)9-15(16)28-18/h4-10H,1-3H3,(H,19,20,22)