(2R)-N-cyclohexyl-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-cyclohexyl-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methyl-propanamide CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-cyclohexyl-N-methylpropanamide IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylpropanamide Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-N-cyclohexyl-N-methyl-propionamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(C)C1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H31N3O3S/c1-17(20(24)21(2)18-9-5-3-6-10-18)22-13-15-23(16-14-22)27(25,26)19-11-7-4-8-12-19/h4,7-8,11-12,17-18H,3,5-6,9-10,13-16H2,1-2H3/p+1/t17-/m1/s1