ethyl 1-[7-(3-ethoxycarbonylpiperidin-1-yl)sulfonyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[7-(3-ethoxycarbonylpiperidin-1-yl)sulfonyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[[7-[(3-ethoxycarbonyl-1-piperidyl)sulfonyl]-9,10-dioxo-2-anthryl]sulfonyl]piperidine-3-carboxylate CAS Name: 1-[[7-[(3-ethoxycarbonyl-1-piperidinyl)sulfonyl]-9,10-dioxo-2-anthracenyl]sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[7-(3-ethoxycarbonylpiperidin-1-yl)sulfonyl-9,10-dioxoanthracen-2-yl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[[7-(3-carbethoxypiperidino)sulfonyl-9,10-diketo-2-anthryl]sulfonyl]nipecotic acid ethyl ester Formula: C30H34N2O10S2 MolecularWeight: 646.72836

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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=C(C3=O)C=C(C=C4)S(=O)(=O)N5CCCC(C5)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)N5CCCC(C5)C(=O)OCC

InChI

InChI=1S/C30H34N2O10S2/c1-3-41-29(35)19-7-5-13-31(17-19)43(37,38)21-9-11-23-25(15-21)28(34)26-16-22(10-12-24(26)27(23)33)44(39,40)32-14-6-8-20(18-32)30(36)42-4-2/h9-12,15-16,19-20H,3-8,13-14,17-18H2,1-2H3