(2S)-N-(1-adamantyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(1-adamantyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(1-adamantyl)-2-(4-besylpiperazin-1-ium-1-yl)propionamide Formula: C23H34N3O3S+ MolecularWeight: 432.59936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3S/c1-17(22(27)24-23-14-18-11-19(15-23)13-20(12-18)16-23)25-7-9-26(10-8-25)30(28,29)21-5-3-2-4-6-21/h2-6,17-20H,7-16H2,1H3,(H,24,27)/p+1/t17-,18?,19?,20?,23?/m0/s1