ethyl 2-[4-[2-[(2,4-dinitrophenyl)sulfonyl-methyl-amino]ethyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[2-[(2,4-dinitrophenyl)sulfonyl-methyl-amino]ethyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[2-[(2,4-dinitrophenyl)sulfonyl-methyl-amino]ethyl]piperazin-1-yl]acetate CAS Name: 2-[4-[2-[(2,4-dinitrophenyl)sulfonyl-methylamino]ethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-[(2,4-dinitrophenyl)sulfonyl-methylamino]ethyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[2-[(2,4-dinitrophenyl)sulfonyl-methyl-amino]ethyl]piperazino]acetic acid ethyl ester Formula: C17H25N5O8S MolecularWeight: 459.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)CCN(C)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)CCN(C)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O8S/c1-3-30-17(23)13-20-10-8-19(9-11-20)7-6-18(2)31(28,29)16-5-4-14(21(24)25)12-15(16)22(26)27/h4-5,12H,3,6-11,13H2,1-2H3