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

Systemtic Name: methyl 1-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]isonipecotic acid methyl ester Formula: C20H27ClN2O5S MolecularWeight: 442.95678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H27ClN2O5S/c1-28-20(25)15-8-12-22(13-9-15)19(24)16-6-7-17(21)18(14-16)29(26,27)23-10-4-2-3-5-11-23/h6-7,14-15H,2-5,8-13H2,1H3