(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-propanamide

Systemtic Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-propanamide Openeye Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-propanamide CAS Name: (2S)-2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cycloheptylpropanamide IUPAC Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptylpropanamide Traditional Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H30BrN3O3S/c1-16(20(25)22-18-8-4-2-3-5-9-18)23-11-13-24(14-12-23)28(26,27)19-10-6-7-17(21)15-19/h6-7,10,15-16,18H,2-5,8-9,11-14H2,1H3,(H,22,25)/p+1/t16-/m0/s1