ethyl 1-[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(9,10-dioxo-2-anthryl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(9,10-dioxo-2-anthracenyl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(9,10-dioxoanthracen-2-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(9,10-diketo-2-anthryl)sulfonyl]isonipecotic acid ethyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21NO6S/c1-2-29-22(26)14-9-11-23(12-10-14)30(27,28)15-7-8-18-19(13-15)21(25)17-6-4-3-5-16(17)20(18)24/h3-8,13-14H,2,9-12H2,1H3