N-(2,3-dimethylcyclohexyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propanamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propanamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propionamide Formula: C21H31N3O6S MolecularWeight: 453.55234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O6S/c1-14-7-6-8-18(15(14)2)22-21(25)16(3)30-20-10-9-17(13-19(20)24(26)27)31(28,29)23-11-4-5-12-23/h9-10,13-16,18H,4-8,11-12H2,1-3H3,(H,22,25)