[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-nitrocyclopropyl)methanone

Systemtic Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-nitrocyclopropyl)methanone Openeye Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-nitrocyclopropyl)methanone CAS Name: [4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-(2-nitrocyclopropyl)methanone IUPAC Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-nitrocyclopropyl)methanone Traditional Name: (2-nitrocyclopropyl)-(4-p-phenetylsulfonylpiperazino)methanone Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC3[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC3[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6S/c1-2-25-12-3-5-13(6-4-12)26(23,24)18-9-7-17(8-10-18)16(20)14-11-15(14)19(21)22/h3-6,14-15H,2,7-11H2,1H3