N-(1-adamantylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazino]propionamide Formula: C24H33FN4O4S MolecularWeight: 492.606623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

InChI

InChI=1S/C24H33FN4O4S/c1-16(28-5-7-29(8-6-28)34(32,33)21-4-2-3-20(25)12-21)22(30)26-23(31)27-24-13-17-9-18(14-24)11-19(10-17)15-24/h2-4,12,16-19H,5-11,13-15H2,1H3,(H2,26,27,30,31)