(2S)-2-(4-nitrophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-(4-nitrophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(4-nitrophenoxy)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: (2S)-2-(4-nitrophenoxy)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(4-nitrophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(4-nitrophenoxy)-1-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C17H19N3O6S2 MolecularWeight: 425.47926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6S2/c1-13(26-15-6-4-14(5-7-15)20(22)23)17(21)18-8-10-19(11-9-18)28(24,25)16-3-2-12-27-16/h2-7,12-13H,8-11H2,1H3/t13-/m0/s1