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

Systemtic Name: ethyl 1-[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[5-(1-azepanylsulfonyl)-2-methylphenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]isonipecotic acid ethyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5S/c1-3-29-22(26)18-10-14-23(15-11-18)21(25)20-16-19(9-8-17(20)2)30(27,28)24-12-6-4-5-7-13-24/h8-9,16,18H,3-7,10-15H2,1-2H3