N-(2,3-dimethylphenyl)-2-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]amino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]amino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetyl]amino]acetamide Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C22H26N4O7S/c1-15-6-5-7-18(16(15)2)24-21(27)13-23-22(28)14-33-20-9-8-17(12-19(20)26(29)30)34(31,32)25-10-3-4-11-25/h5-9,12H,3-4,10-11,13-14H2,1-2H3,(H,23,28)(H,24,27)