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

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-cyanophenyl)propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-cyanophenyl)propanamide Traditional Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-cyanophenyl)propionamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c1-17(21(26)23-20-9-7-18(15-22)8-10-20)24-11-13-25(14-12-24)29(27,28)16-19-5-3-2-4-6-19/h2-10,17H,11-14,16H2,1H3,(H,23,26)/p+1/t17-/m1/s1