ethyl 1-[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[(9,10-dioxo-2-anthryl)sulfonyl]piperidine-3-carboxylate CAS Name: 1-[(9,10-dioxo-2-anthracenyl)sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(9,10-dioxoanthracen-2-yl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-[(9,10-diketo-2-anthryl)sulfonyl]nipecotic acid ethyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

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