(2S)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-propanamide

Systemtic Name: (2S)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-propanamide Openeye Name: (2S)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-propanamide CAS Name: (2S)-2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cycloheptylpropanamide IUPAC Name: (2S)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptylpropanamide Traditional Name: (2S)-2-(4-brosylpiperazin-1-ium-1-yl)-N-cycloheptyl-propionamide Formula: C20H31BrN3O3S+ MolecularWeight: 473.44744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

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