ethyl 4-[4-[2-(ethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(ethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(ethylamino)-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(ethylamino)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(ethylamino)-2-keto-ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCNC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C17H25N3O5S/c1-3-18-16(21)13-19-9-11-20(12-10-19)26(23,24)15-7-5-14(6-8-15)17(22)25-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,21)