N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O6S/c1-13-9-14(2)20(16(21)10-13)22-19(25)12-30-18-6-5-15(11-17(18)24(26)27)31(28,29)23-7-3-4-8-23/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,22,25)