N-[2-[(2-azanyl-5-chloranyl-phenyl)-(2-chlorophenyl)methyl]sulfanylethyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(2-azanyl-5-chloranyl-phenyl)-(2-chlorophenyl)methyl]sulfanylethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-[(2-amino-5-chloro-phenyl)-(2-chlorophenyl)methyl]sulfanylethyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-[[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]thio]ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-[[(2-amino-5-chloro-phenyl)-(2-chlorophenyl)methyl]thio]ethyl]-2-nitro-benzenesulfonamide Formula: C21H19Cl2N3O4S2 MolecularWeight: 512.42926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=C(C=CC(=C2)Cl)N)SCCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=C(C=CC(=C2)Cl)N)SCCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C21H19Cl2N3O4S2/c22-14-9-10-18(24)16(13-14)21(15-5-1-2-6-17(15)23)31-12-11-25-32(29,30)20-8-4-3-7-19(20)26(27)28/h1-10,13,21,25H,11-12,24H2