(2S)-2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-propanamide

Systemtic Name: (2S)-2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-propanamide Openeye Name: (2S)-2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-propanamide CAS Name: (2S)-2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclohexylpropanamide IUPAC Name: (2S)-2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexylpropanamide Traditional Name: (2S)-2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-propionamide Formula: C20H31BrN3O3S+ MolecularWeight: 473.44744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3CCCCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3CCCCC3)Br

InChI

InChI=1S/C20H30BrN3O3S/c1-15-14-18(8-9-19(15)21)28(26,27)24-12-10-23(11-13-24)16(2)20(25)22-17-6-4-3-5-7-17/h8-9,14,16-17H,3-7,10-13H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1