1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-yl-propan-1-one

Systemtic Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-(3-thienyl)propan-1-one CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-ylpropan-1-one Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-3-(3-thienyl)propan-1-one Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S2/c1-27-17-4-3-15(12-16(17)21(23)24)29(25,26)20-9-7-19(8-10-20)18(22)5-2-14-6-11-28-13-14/h3-4,6,11-13H,2,5,7-10H2,1H3