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

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide Formula: C21H22N6O7S2 MolecularWeight: 534.56538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC(=N3)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC(=N3)C)S(=O)(=O)C

InChI

InChI=1S/C21H22N6O7S2/c1-14-4-7-17(27(29)30)12-19(14)26(35(3,31)32)13-20(28)24-16-5-8-18(9-6-16)36(33,34)25-21-22-11-10-15(2)23-21/h4-12H,13H2,1-3H3,(H,24,28)(H,22,23,25)