ethyl 1-[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[(4-acetyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-acetylpiperazino)sulfonylbenzoyl]isonipecotic acid ethyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H29N3O6S/c1-3-30-21(27)17-7-9-23(10-8-17)20(26)18-5-4-6-19(15-18)31(28,29)24-13-11-22(12-14-24)16(2)25/h4-6,15,17H,3,7-14H2,1-2H3