N-(1-adamantyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide

Systemtic Name: N-(1-adamantyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide Openeye Name: N-(1-adamantyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide CAS Name: N-(1-adamantyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propanamide IUPAC Name: N-(1-adamantyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propanamide Traditional Name: N-(1-adamantyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propionamide Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O6S/c1-15(22(27)24-23-12-16-8-17(13-23)10-18(9-16)14-23)32-21-5-4-19(11-20(21)26(28)29)33(30,31)25-6-2-3-7-25/h4-5,11,15-18H,2-3,6-10,12-14H2,1H3,(H,24,27)