N-(2-tert-butylsulfanylethyl)-2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanamide Openeye Name: N-(2-tert-butylsulfanylethyl)-2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetamide CAS Name: N-[2-(tert-butylthio)ethyl]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide Traditional Name: N-[2-(tert-butylthio)ethyl]-2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetamide Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)C2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)C2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O6S2/c1-16-6-11-19(14-20(16)25(27)28)33(29,30)24(17-7-9-18(31-5)10-8-17)15-21(26)23-12-13-32-22(2,3)4/h6-11,14H,12-13,15H2,1-5H3,(H,23,26)