ethyl 1-[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-[1-azepanyl(oxo)methyl]-4-methoxyphenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(azepane-1-carbonyl)-4-methoxyphenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylisonipecotic acid ethyl ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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