N-(2-tert-butylsulfanylethyl)-2-[(2-nitrophenyl)sulfonyl-phenyl-amino]ethanamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(2-nitrophenyl)sulfonyl-phenyl-amino]ethanamide Openeye Name: N-(2-tert-butylsulfanylethyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide CAS Name: N-[2-(tert-butylthio)ethyl]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide Traditional Name: N-[2-(tert-butylthio)ethyl]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SCCNC(=O)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S2/c1-20(2,3)29-14-13-21-19(24)15-22(16-9-5-4-6-10-16)30(27,28)18-12-8-7-11-17(18)23(25)26/h4-12H,13-15H2,1-3H3,(H,21,24)