ethyl 4-[3-(diethylamino)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(diethylamino)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[[3-(diethylamino)-1,4-dioxo-2-naphthyl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(diethylamino)-1,4-dioxo-2-naphthalenyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(diethylamino)-1,4-dioxonaphthalen-2-yl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[[3-(diethylamino)-1,4-diketo-2-naphthyl]sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=C(C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H27N3O6S/c1-4-22(5-2)17-18(25)15-9-7-8-10-16(15)19(26)20(17)31(28,29)24-13-11-23(12-14-24)21(27)30-6-3/h7-10H,4-6,11-14H2,1-3H3