N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[[4-(2-methyl-1-imidazolyl)phenyl]methyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[4-(2-methylimidazol-1-yl)benzyl]acetamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)CNC(=O)CN(C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)CNC(=O)CN(C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C

InChI

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