methyl 6-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]hexanoate CAS Name: 6-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]hexanoate Traditional Name: 6-[(1-besylisonipecotoyl)amino]hexanoic acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H28N2O5S/c1-26-18(22)10-6-3-7-13-20-19(23)16-11-14-21(15-12-16)27(24,25)17-8-4-2-5-9-17/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3,(H,20,23)