3-methyl-2-[[4-(4-oxidanylidenepiperidin-1-yl)phenyl]sulfonylamino]hexanoate

Systemtic Name: 3-methyl-2-[[4-(4-oxidanylidenepiperidin-1-yl)phenyl]sulfonylamino]hexanoate Openeye Name: 3-methyl-2-[[4-(4-oxo-1-piperidyl)phenyl]sulfonylamino]hexanoate CAS Name: 3-methyl-2-[[4-(4-oxo-1-piperidinyl)phenyl]sulfonylamino]hexanoate IUPAC Name: 3-methyl-2-[[4-(4-oxopiperidin-1-yl)phenyl]sulfonylamino]hexanoate Traditional Name: 2-[[4-(4-ketopiperidino)phenyl]sulfonylamino]-3-methyl-hexanoate Formula: C18H25N2O5S- MolecularWeight: 381.4665

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)N2CCC(=O)CC2

Isomeric SMILES

CCCC(C)C(C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)N2CCC(=O)CC2

InChI

InChI=1S/C18H26N2O5S/c1-3-4-13(2)17(18(22)23)19-26(24,25)16-7-5-14(6-8-16)20-11-9-15(21)10-12-20/h5-8,13,17,19H,3-4,9-12H2,1-2H3,(H,22,23)/p-1