N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)ethanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S2/c1-26(23,24)12-6-7-13-14(9-12)25-16(17-13)18-15(20)8-10-2-4-11(5-3-10)19(21)22/h2-7,9H,8H2,1H3,(H,17,18,20)