3-(furan-2-yl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(furan-2-yl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(2-furyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(2-furanyl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(furan-2-yl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(2-furyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]propan-1-one Formula: C18H21N3O7S MolecularWeight: 423.44024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O7S/c1-27-17-6-5-15(13-16(17)21(23)24)29(25,26)20-10-8-19(9-11-20)18(22)7-4-14-3-2-12-28-14/h2-3,5-6,12-13H,4,7-11H2,1H3