ethyl 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxylate Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]isonipecotic acid ethyl ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O6S/c1-3-30-22(26)17-10-14-23(15-11-17)21(25)19-16-18(8-9-20(19)29-2)31(27,28)24-12-6-4-5-7-13-24/h8-9,16-17H,3-7,10-15H2,1-2H3