[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-nitrocyclopropyl)methanone

Systemtic Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-nitrocyclopropyl)methanone Openeye Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-nitrocyclopropyl)methanone CAS Name: [4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-(2-nitrocyclopropyl)methanone IUPAC Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-nitrocyclopropyl)methanone Traditional Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-(2-nitrocyclopropyl)methanone Formula: C16H21N3O7S MolecularWeight: 399.41884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC3[N+](=O)[O-])OC

InChI

InChI=1S/C16H21N3O7S/c1-25-14-4-3-11(9-15(14)26-2)27(23,24)18-7-5-17(6-8-18)16(20)12-10-13(12)19(21)22/h3-4,9,12-13H,5-8,10H2,1-2H3