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

Systemtic Name: ethyl 1-[3-(azepan-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[[3-(azepan-1-yl)-1,4-dioxo-2-naphthyl]sulfonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(1-azepanyl)-1,4-dioxo-2-naphthalenyl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(azepan-1-yl)-1,4-dioxonaphthalen-2-yl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[[3-(azepan-1-yl)-1,4-diketo-2-naphthyl]sulfonyl]isonipecotic acid ethyl ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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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)N4CCCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

InChI=1S/C24H30N2O6S/c1-2-32-24(29)17-11-15-26(16-12-17)33(30,31)23-20(25-13-7-3-4-8-14-25)21(27)18-9-5-6-10-19(18)22(23)28/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3