1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(3-methoxyphenyl)ethanone

Systemtic Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(3-methoxyphenyl)ethanone Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(3-methoxyphenyl)ethanone CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(3-methoxyphenyl)ethanone IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-methoxyphenyl)ethanone Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-2-(3-methoxyphenyl)ethanone Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7S/c1-29-16-5-3-4-15(12-16)13-20(24)21-8-10-22(11-9-21)31(27,28)17-6-7-19(30-2)18(14-17)23(25)26/h3-7,12,14H,8-11,13H2,1-2H3