1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-yl-ethanone

Systemtic Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(3-thienyl)ethanone CAS Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-2-(3-thienyl)ethanone Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CC3=CSC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CC3=CSC=C3

InChI

InChI=1S/C17H19N3O5S2/c1-13-2-3-15(20(22)23)11-16(13)27(24,25)19-7-5-18(6-8-19)17(21)10-14-4-9-26-12-14/h2-4,9,11-12H,5-8,10H2,1H3