methyl 6-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[1-[(E)-styryl]sulfonylpiperidine-4-carbonyl]amino]hexanoate CAS Name: 6-[[oxo-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]amino]hexanoate Traditional Name: 6-[[1-[(E)-styryl]sulfonylisonipecotoyl]amino]hexanoic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5S/c1-28-20(24)10-6-3-7-14-22-21(25)19-11-15-23(16-12-19)29(26,27)17-13-18-8-4-2-5-9-18/h2,4-5,8-9,13,17,19H,3,6-7,10-12,14-16H2,1H3,(H,22,25)/b17-13+