(2S)-N-(1-adamantyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(1-adamantyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(1-adamantyl)-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C24H36N3O3S+ MolecularWeight: 446.62594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H35N3O3S/c1-17-3-5-22(6-4-17)31(29,30)27-9-7-26(8-10-27)18(2)23(28)25-24-14-19-11-20(15-24)13-21(12-19)16-24/h3-6,18-21H,7-16H2,1-2H3,(H,25,28)/p+1/t18-,19?,20?,21?,24?/m0/s1