N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[4-(4-methylsulfonylphenyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: N-[4-(4-methylsulfonylphenyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[4-(4-mesylphenyl)thiazol-2-yl]-3-nitro-benzamide Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S2/c1-27(24,25)14-7-5-11(6-8-14)15-10-26-17(18-15)19-16(21)12-3-2-4-13(9-12)20(22)23/h2-10H,1H3,(H,18,19,21)