ethyl 1-[7-oxidanylidene-1-[2-(phenylsulfonyl)ethyl]azepan-4-yl]piperidine-2-carboxylate

Systemtic Name: ethyl 1-[7-oxidanylidene-1-[2-(phenylsulfonyl)ethyl]azepan-4-yl]piperidine-2-carboxylate Openeye Name: ethyl 1-[1-[2-(benzenesulfonyl)ethyl]-7-oxo-azepan-4-yl]piperidine-2-carboxylate CAS Name: 1-[1-[2-(benzenesulfonyl)ethyl]-7-oxo-4-azepanyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[2-(benzenesulfonyl)ethyl]-7-oxoazepan-4-yl]piperidine-2-carboxylate Traditional Name: 1-[1-(2-besylethyl)-7-keto-azepan-4-yl]pipecolinic acid ethyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C2CCC(=O)N(CC2)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCCN1C2CCC(=O)N(CC2)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H32N2O5S/c1-2-29-22(26)20-10-6-7-14-24(20)18-11-12-21(25)23(15-13-18)16-17-30(27,28)19-8-4-3-5-9-19/h3-5,8-9,18,20H,2,6-7,10-17H2,1H3