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

Systemtic Name: ethyl 1-[1,4-bis(oxidanylidene)-3-pyrrolidin-1-yl-naphthalen-2-yl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(1,4-dioxo-3-pyrrolidin-1-yl-2-naphthyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[[1,4-dioxo-3-(1-pyrrolidinyl)-2-naphthalenyl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(1,4-diketo-3-pyrrolidino-2-naphthyl)sulfonyl]isonipecotic acid ethyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4

InChI

InChI=1S/C22H26N2O6S/c1-2-30-22(27)15-9-13-24(14-10-15)31(28,29)21-18(23-11-5-6-12-23)19(25)16-7-3-4-8-17(16)20(21)26/h3-4,7-8,15H,2,5-6,9-14H2,1H3