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

Systemtic Name: ethyl 1-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]isonipecotic acid ethyl ester Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2O5S/c1-2-29-21(26)16-9-13-23(14-10-16)20(25)17-7-8-18(22)19(15-17)30(27,28)24-11-5-3-4-6-12-24/h7-8,15-16H,2-6,9-14H2,1H3