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

Systemtic Name: (2S)-N-(1-adamantylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1-adamantylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[(1-adamantylamino)-oxomethyl]-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-adamantylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(1-adamantylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C24H34FN4O4S+ MolecularWeight: 493.614563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H33FN4O4S/c1-16(28-6-8-29(9-7-28)34(32,33)21-4-2-20(25)3-5-21)22(30)26-23(31)27-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-5,16-19H,6-15H2,1H3,(H2,26,27,30,31)/p+1/t16-,17?,18?,19?,24?/m0/s1