ethyl 2-[2-nitro-4-(4-propylpiperazin-1-yl)carbonyl-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[2-nitro-4-(4-propylpiperazin-1-yl)carbonyl-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[2-nitro-4-(4-propylpiperazine-1-carbonyl)phenyl]sulfonylacetate CAS Name: 2-[2-nitro-4-[oxo-(4-propyl-1-piperazinyl)methyl]phenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[2-nitro-4-(4-propylpiperazine-1-carbonyl)phenyl]sulfonylacetate Traditional Name: 2-[2-nitro-4-(4-propylpiperazine-1-carbonyl)phenyl]sulfonylacetic acid ethyl ester Formula: C18H25N3O7S MolecularWeight: 427.472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O7S/c1-3-7-19-8-10-20(11-9-19)18(23)14-5-6-16(15(12-14)21(24)25)29(26,27)13-17(22)28-4-2/h5-6,12H,3-4,7-11,13H2,1-2H3