methyl 1-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[5-(1-azepanylsulfonyl)-2-chlorophenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]piperidine-4-carboxylate Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]isonipecotic acid methyl ester Formula: C20H27ClN2O5S MolecularWeight: 442.95678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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