N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[[4-(2-methyl-1-imidazolyl)phenyl]methyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-[4-(2-methylimidazol-1-yl)benzyl]acetamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)N3C=CN=C3C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)N3C=CN=C3C)S(=O)(=O)C

InChI

InChI=1S/C21H23N5O5S/c1-15-4-7-19(26(28)29)12-20(15)25(32(3,30)31)14-21(27)23-13-17-5-8-18(9-6-17)24-11-10-22-16(24)2/h4-12H,13-14H2,1-3H3,(H,23,27)