N-[(2-imidazol-1-ylphenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[(2-imidazol-1-ylphenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[[2-(1-imidazolyl)phenyl]methyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-(2-imidazol-1-ylbenzyl)-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=CC=C2N3C=CN=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=CC=C2N3C=CN=C3)S(=O)(=O)C

InChI

InChI=1S/C20H21N5O5S/c1-15-7-8-17(25(27)28)11-19(15)24(31(2,29)30)13-20(26)22-12-16-5-3-4-6-18(16)23-10-9-21-14-23/h3-11,14H,12-13H2,1-2H3,(H,22,26)