(2R)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidino-propan-1-one Formula: C17H25N4O5S+ MolecularWeight: 397.4692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O5S/c1-14(17(22)19-8-4-5-9-19)18-10-12-20(13-11-18)27(25,26)16-7-3-2-6-15(16)21(23)24/h2-3,6-7,14H,4-5,8-13H2,1H3/p+1/t14-/m1/s1