N-(2-tert-butylsulfanylethyl)-2-[(2,4-dimethoxyphenyl)-(2-nitrophenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(2,4-dimethoxyphenyl)-(2-nitrophenyl)sulfonyl-amino]ethanamide Openeye Name: N-(2-tert-butylsulfanylethyl)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonyl-anilino)acetamide CAS Name: N-[2-(tert-butylthio)ethyl]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide Traditional Name: N-[2-(tert-butylthio)ethyl]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonyl-anilino)acetamide Formula: C22H29N3O7S2 MolecularWeight: 511.61156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O7S2/c1-22(2,3)33-13-12-23-21(26)15-24(17-11-10-16(31-4)14-19(17)32-5)34(29,30)20-9-7-6-8-18(20)25(27)28/h6-11,14H,12-13,15H2,1-5H3,(H,23,26)