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

Systemtic Name: (2S)-2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)propanamide Openeye Name: (2S)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)propanamide CAS Name: (2S)-2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-(1-cyanocyclohexyl)propanamide IUPAC Name: (2S)-2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)propanamide Traditional Name: (2S)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)propionamide Formula: C18H26BrN4O3S2+ MolecularWeight: 490.45804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C[C@@H](C(=O)NC1(CCCCC1)C#N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H25BrN4O3S2/c1-14(17(24)21-18(13-20)7-3-2-4-8-18)22-9-11-23(12-10-22)28(25,26)16-6-5-15(19)27-16/h5-6,14H,2-4,7-12H2,1H3,(H,21,24)/p+1/t14-/m0/s1