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

Systemtic Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-propanamide Openeye Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-propanamide CAS Name: (2S)-2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclohexylpropanamide IUPAC Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexylpropanamide Traditional Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-propionamide Formula: C19H29BrN3O3S+ MolecularWeight: 459.42086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H28BrN3O3S/c1-15(19(24)21-17-7-3-2-4-8-17)22-10-12-23(13-11-22)27(25,26)18-9-5-6-16(20)14-18/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3,(H,21,24)/p+1/t15-/m0/s1