(2R)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enyl-propanamide

Systemtic Name: (2R)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enyl-propanamide Openeye Name: (2R)-N-allyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-prop-2-enylpropanamide IUPAC Name: (2R)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide Traditional Name: (2R)-N-allyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C16H23N4O5S+ MolecularWeight: 383.44262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC=C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O5S/c1-3-8-17-16(21)13(2)18-9-11-19(12-10-18)26(24,25)15-7-5-4-6-14(15)20(22)23/h3-7,13H,1,8-12H2,2H3,(H,17,21)/p+1/t13-/m1/s1