ethyl (3S)-1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]nipecotic acid ethyl ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H32N2O6S/c1-3-30-22(26)17-9-8-12-23(16-17)21(25)19-15-18(10-11-20(19)29-2)31(27,28)24-13-6-4-5-7-14-24/h10-11,15,17H,3-9,12-14,16H2,1-2H3/t17-/m0/s1