methyl 3-[4-[2-(ethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-[2-(ethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-[2-(ethylamino)-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-[2-(ethylamino)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-[2-(ethylamino)-2-keto-ethyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5S/c1-3-17-15(20)12-18-7-9-19(10-8-18)25(22,23)14-6-4-5-13(11-14)16(21)24-2/h4-6,11H,3,7-10,12H2,1-2H3,(H,17,20)