methylsulfonyl-[2-[[(1S)-1-(3-nitrophenyl)butyl]azaniumyl]ethyl]azanide

Systemtic Name: methylsulfonyl-[2-[[(1S)-1-(3-nitrophenyl)butyl]azaniumyl]ethyl]azanide Openeye Name: methylsulfonyl-[2-[[(1S)-1-(3-nitrophenyl)butyl]ammonio]ethyl]azanide CAS Name: methylsulfonyl-[2-[[(1S)-1-(3-nitrophenyl)butyl]ammonio]ethyl]azanide IUPAC Name: methylsulfonyl-[2-[[(1S)-1-(3-nitrophenyl)butyl]azaniumyl]ethyl]azanide Traditional Name: mesyl-[2-[[(1S)-1-(3-nitrophenyl)butyl]ammonio]ethyl]azanide Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC=C1)[N+](=O)[O-])[NH2+]CC[N-]S(=O)(=O)C

Isomeric SMILES

CCC[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH2+]CC[N-]S(=O)(=O)C

InChI

InChI=1S/C13H20N3O4S/c1-3-5-13(14-8-9-15-21(2,19)20)11-6-4-7-12(10-11)16(17)18/h4,6-7,10,13-14H,3,5,8-9H2,1-2H3/q-1/p+1/t13-/m0/s1