N-(2,5-dimethylphenyl)-2-[methyl-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[methyl-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-(N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[N-methyl-2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-(N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonylanilino)acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-(N-methyl-2-nitro-4-pyrrolidinosulfonyl-anilino)acetamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-15-6-7-16(2)18(12-15)22-21(26)14-23(3)19-9-8-17(13-20(19)25(27)28)31(29,30)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,26)