methyl 3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanoate

Systemtic Name: methyl 3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanoate Openeye Name: methyl 3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanoate CAS Name: 3-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanoate Traditional Name: 3-[4-(3-nitrophenyl)sulfonylpiperazino]propionic acid methyl ester Formula: C14H19N3O6S MolecularWeight: 357.38216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6S/c1-23-14(18)5-6-15-7-9-16(10-8-15)24(21,22)13-4-2-3-12(11-13)17(19)20/h2-4,11H,5-10H2,1H3