4-chloranyl-5-methyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-5-methyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-benzenesulfonamide Openeye Name: 4-chloro-5-methyl-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-benzenesulfonamide CAS Name: 4-chloro-5-methyl-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]benzenesulfonamide IUPAC Name: 4-chloro-5-methyl-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylbenzenesulfonamide Traditional Name: 4-chloro-2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-5-methyl-benzenesulfonamide Formula: C15H13ClN2O5S2 MolecularWeight: 400.85712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C15H13ClN2O5S2/c1-9-5-15(25(17,22)23)14(7-12(9)16)24-8-13(19)10-3-2-4-11(6-10)18(20)21/h2-7H,8H2,1H3,(H2,17,22,23)