(2S)-2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexylmethyl)propanamide

Systemtic Name: (2S)-2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexylmethyl)propanamide Openeye Name: (2S)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(cyclohexylmethyl)propanamide CAS Name: (2S)-2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-(cyclohexylmethyl)propanamide IUPAC Name: (2S)-2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexylmethyl)propanamide Traditional Name: (2S)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(cyclohexylmethyl)propionamide Formula: C18H29BrN3O3S2+ MolecularWeight: 479.47516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C[C@@H](C(=O)NCC1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H28BrN3O3S2/c1-14(18(23)20-13-15-5-3-2-4-6-15)21-9-11-22(12-10-21)27(24,25)17-8-7-16(19)26-17/h7-8,14-15H,2-6,9-13H2,1H3,(H,20,23)/p+1/t14-/m0/s1