(2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(3-nitrophenyl)propanamide

Systemtic Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(3-nitrophenyl)propanamide Openeye Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(3-nitrophenyl)propanamide CAS Name: (2S)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)-N-(3-nitrophenyl)propanamide IUPAC Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(3-nitrophenyl)propanamide Traditional Name: (2S)-2-(4-mesylpiperazin-1-ium-1-yl)-N-(3-nitrophenyl)propionamide Formula: C14H21N4O5S+ MolecularWeight: 357.40534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O5S/c1-11(16-6-8-17(9-7-16)24(2,22)23)14(19)15-12-4-3-5-13(10-12)18(20)21/h3-5,10-11H,6-9H2,1-2H3,(H,15,19)/p+1/t11-/m0/s1