N-(1-adamantylmethyl)-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-(1-adamantylmethyl)piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-(1-adamantylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-(1-adamantylmethyl)piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-(1-adamantylmethyl)isonipecotamide Formula: C25H34N2O4S MolecularWeight: 458.61346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2O4S/c1-17(28)22-3-2-4-23(12-22)32(30,31)27-7-5-21(6-8-27)24(29)26-16-25-13-18-9-19(14-25)11-20(10-18)15-25/h2-4,12,18-21H,5-11,13-16H2,1H3,(H,26,29)