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

Systemtic Name: ethyl 4-[1,4-bis(oxidanylidene)-3-piperidin-1-yl-naphthalen-2-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[[1,4-dioxo-3-(1-piperidyl)-2-naphthyl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[1,4-dioxo-3-(1-piperidinyl)-2-naphthalenyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-[(1,4-diketo-3-piperidino-2-naphthyl)sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCC4

InChI

InChI=1S/C22H27N3O6S/c1-2-31-22(28)24-12-14-25(15-13-24)32(29,30)21-18(23-10-6-3-7-11-23)19(26)16-8-4-5-9-17(16)20(21)27/h4-5,8-9H,2-3,6-7,10-15H2,1H3