N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-naphthalen-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-naphthalen-2-ylsulfanyl-ethanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-(2-naphthylsulfanyl)acetamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(2-naphthalenylthio)acetamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-naphthalen-2-ylsulfanylacetamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-(2-naphthylthio)acetamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CSC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CSC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S2/c1-31(28,29)18-8-9-19(20(13-18)24(26)27)22-10-11-23-21(25)14-30-17-7-6-15-4-2-3-5-16(15)12-17/h2-9,12-13,22H,10-11,14H2,1H3,(H,23,25)