N-[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl]acetamide CAS Name: N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]acetamide Traditional Name: 2-(benzylthio)-N-[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl]acetamide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)CSCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)CSCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S2/c1-16-7-12-20(13-21(16)25(27)28)32(29,30)24-19-10-8-18(9-11-19)23-22(26)15-31-14-17-5-3-2-4-6-17/h2-13,24H,14-15H2,1H3,(H,23,26)