ethyl 1-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(azepan-1-ylsulfonyl)benzoyl]isonipecotic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N2O5S/c1-2-28-21(25)17-10-14-22(15-11-17)20(24)18-8-7-9-19(16-18)29(26,27)23-12-5-3-4-6-13-23/h7-9,16-17H,2-6,10-15H2,1H3