N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-methylsulfonyl-benzamide

Systemtic Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-methylsulfonyl-benzamide Openeye Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-methylsulfonyl-benzamide CAS Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-methylsulfonylbenzamide IUPAC Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-methylsulfonylbenzamide Traditional Name: 2-mesyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C16H13N3O5S2/c1-18-12-8-7-10(19(21)22)9-13(12)25-16(18)17-15(20)11-5-3-4-6-14(11)26(2,23)24/h3-9H,1-2H3