(2R)-N-(1-cyanocyclohexyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(1-cyanocyclohexyl)propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(1-cyanocyclohexyl)propanamide Traditional Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(1-cyanocyclohexyl)propionamide Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O3S/c1-18(20(26)23-21(17-22)10-6-3-7-11-21)24-12-14-25(15-13-24)29(27,28)16-19-8-4-2-5-9-19/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3,(H,23,26)/p+1/t18-/m1/s1