2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-[4-(3-pyridylsulfamoyl)phenyl]acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[4-(3-pyridinylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-[4-(3-pyridylsulfamoyl)phenyl]acetamide Formula: C21H21N5O8S2 MolecularWeight: 535.55014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CN=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CN=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H21N5O8S2/c1-34-20-10-7-17(26(28)29)12-19(20)25(35(2,30)31)14-21(27)23-15-5-8-18(9-6-15)36(32,33)24-16-4-3-11-22-13-16/h3-13,24H,14H2,1-2H3,(H,23,27)