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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-[(4-nitrophenyl)thio]acetamide Formula: C16H13N3O5S3 MolecularWeight: 423.48652

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S3/c1-27(23,24)12-6-7-13-14(8-12)26-16(17-13)18-15(20)9-25-11-4-2-10(3-5-11)19(21)22/h2-8H,9H2,1H3,(H,17,18,20)